2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide

C24H26N4O2 — CID 144842708

IUPAC2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)c1ccccc1-c1cncc(NC(=O)c2ccnc(NC(O)C3CC3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-15(2)20-5-3-4-6-21(20)18-11-19(14-25-13-18)27-24(30)17-9-10-26-22(12-17)28-23(29)16-7-8-16/h3-6,9-16,23,29H,7-8H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyUZAKFUPOOOSLKB-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.66
Rot. Bonds7

About 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide

2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 144842708) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID144842708
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCC(C)c1ccccc1-c1cncc(NC(=O)c2ccnc(NC(O)C3CC3)c2)c1
InChIInChI=1S/C24H26N4O2/c1-15(2)20-5-3-4-6-21(20)18-11-19(14-25-13-18)27-24(30)17-9-10-26-22(12-17)28-23(29)16-7-8-16/h3-6,9-16,23,29H,7-8H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyUZAKFUPOOOSLKB-UHFFFAOYSA-N
XLogP4.66
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[(3,3-difluorocyclopentanecarbonyl)amino]pyridine-4-carboxamide
CID 118071052
2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118064448
2-(cyclopropanecarbonylamino)-N-[5-(1-methylpyrrol-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118065419
N-(4-cyclohexa-1,3-dien-1-yl-3-pyridinyl)-2-[[cyclopropyl(hydroxy)methyl]amino]pyridine-4-carboxamide
CID 144842705
2-N-cyclopropyl-4-N-[5-[2-[(dimethylamino)methyl]phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452937
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061
2-N-cyclopropyl-4-N-[5-(2-propoxyphenyl)-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452889
2-[(6-chloro-2-pyridinyl)amino]-N-[5-(2-fluorophenyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118072376
6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-3-carboxamide
CID 118063764
methyl 6-[[4-[[5-(2-fluorophenyl)-3-pyridinyl]carbamoyl]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 118064236
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118064254
N-[5-(2-chlorophenyl)-3-pyridinyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 118063872

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide (CID 144842708) is 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide is CC(C)c1ccccc1-c1cncc(NC(=O)c2ccnc(NC(O)C3CC3)c2)c1.
What is the InChIKey of 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is UZAKFUPOOOSLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15(2)20-5-3-4-6-21(20)18-11-19(14-25-13-18)27-24(30)17-9-10-26-22(12-17)28-23(29)16-7-8-16/h3-6,9-16,23,29H,7-8H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide?
2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(hydroxy)methyl]amino]-N-[5-(2-propan-2-ylphenyl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 144842708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).