N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide

C28H35N5O3 — CID 22249419

IUPACN-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccnc(OCCN3CCOCC3)c2)cc1
InChIInChI=1S/C28H35N5O3/c1-28(2,3)22-6-8-23(9-7-22)32-27(34)24-5-4-11-30-26(24)31-20-21-10-12-29-25(19-21)36-18-15-33-13-16-35-17-14-33/h4-12,19H,13-18,20H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyKUJJCXJIGPMUSY-UHFFFAOYSA-N
MW489.62 g/mol
LogP4.35
Rot. Bonds9

About N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide

N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide (PubChem CID 22249419) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
PubChem CID22249419
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccnc(OCCN3CCOCC3)c2)cc1
InChIInChI=1S/C28H35N5O3/c1-28(2,3)22-6-8-23(9-7-22)32-27(34)24-5-4-11-30-26(24)31-20-21-10-12-29-25(19-21)36-18-15-33-13-16-35-17-14-33/h4-12,19H,13-18,20H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyKUJJCXJIGPMUSY-UHFFFAOYSA-N
XLogP4.35
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[[2-(3-morpholin-4-ylpropylamino)-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 150839335
N-[4-tert-butyl-3-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]-2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxamide
CID 22498918
2-[(3-tert-butyl-1,2-oxazol-5-yl)-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methyl]amino]pyridine-3-carboxamide
CID 142774513
N-[(3-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethoxy)pyridin-4-amine
CID 175901634
2-[(2-amino-4-pyridinyl)methylamino]-N-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]phenyl]pyridine-3-carboxamide
CID 22498883
2-[(7-morpholin-4-yl-2H-azepin-5-yl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 142853250
2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 59997001
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 22498960
N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 84559427
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-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
CID 22498887

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide (CID 22249419) is N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cccnc2NCc2ccnc(OCCN3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
The InChIKey is KUJJCXJIGPMUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-28(2,3)22-6-8-23(9-7-22)32-27(34)24-5-4-11-30-26(24)31-20-21-10-12-29-25(19-21)36-18-15-33-13-16-35-17-14-33/h4-12,19H,13-18,20H2,1-3H3,(H,30,31)(H,32,34).
What are the key properties of N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[[2-(2-morpholin-4-ylethoxy)-4-pyridinyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 22249419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).