2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C29H33F3N6O3 — CID 22498960

IUPAC2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(Oc1cc(NC(=O)c2cccnc2NCc2ccnc(N3CCOCC3)c2)cc(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C29H33F3N6O3/c1-19(25-5-3-7-33-25)41-23-16-21(29(30,31)32)15-22(17-23)37-28(39)24-4-2-8-35-27(24)36-18-20-6-9-34-26(14-20)38-10-12-40-13-11-38/h2,4,6,8-9,14-17,19,25,33H,3,5,7,10-13,18H2,1H3,(H,35,36)(H,37,39)
InChIKeyCZDYRPKLPMFUDF-UHFFFAOYSA-N
MW570.62 g/mol
LogP4.72
Rot. Bonds9

About 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 22498960) has the molecular formula C29H33F3N6O3 and a molecular weight of 570.62 g/mol. Its IUPAC name is 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID22498960
Molecular FormulaC29H33F3N6O3
Molecular Weight570.62 g/mol
Exact Mass570.26
IUPAC Name2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(Oc1cc(NC(=O)c2cccnc2NCc2ccnc(N3CCOCC3)c2)cc(C(F)(F)F)c1)C1CCCN1
InChIInChI=1S/C29H33F3N6O3/c1-19(25-5-3-7-33-25)41-23-16-21(29(30,31)32)15-22(17-23)37-28(39)24-4-2-8-35-27(24)36-18-20-6-9-34-26(14-20)38-10-12-40-13-11-38/h2,4,6,8-9,14-17,19,25,33H,3,5,7,10-13,18H2,1H3,(H,35,36)(H,37,39)
InChIKeyCZDYRPKLPMFUDF-UHFFFAOYSA-N
XLogP4.72
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.62
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 59997001
2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[[(2S)-oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[[(2R)-oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158690472
N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498856
2-[(2-methoxypyrimidin-4-yl)methylamino]-N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 22498919
N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine
CID 142853179
2-[(7-morpholin-4-yl-2H-azepin-5-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 142853250
N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
CID 22249419
N-(4,4-dimethyl-2,3-dihydro-1H-isoquinolin-7-yl)-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498869
N-[4-[1,1,1,3,3,3-hexafluoro-2-(pyrrolidin-2-ylmethoxy)propan-2-yl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22498939
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 33031482
2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67052446
N-[4-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperidin-1-ylethoxy)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 87959100

Frequently Asked Questions

What is the IUPAC name of 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 22498960) is 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CC(Oc1cc(NC(=O)c2cccnc2NCc2ccnc(N3CCOCC3)c2)cc(C(F)(F)F)c1)C1CCCN1.
What is the InChIKey of 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CZDYRPKLPMFUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N6O3/c1-19(25-5-3-7-33-25)41-23-16-21(29(30,31)32)15-22(17-23)37-28(39)24-4-2-8-35-27(24)36-18-20-6-9-34-26(14-20)38-10-12-40-13-11-38/h2,4,6,8-9,14-17,19,25,33H,3,5,7,10-13,18H2,1H3,(H,35,36)(H,37,39).
What are the key properties of 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 570.62 g/mol, XLogP of 4.72, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 22498960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).