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N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide

C21H24N4O2 — CID 119870453

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H24N4O2/c22-19-15-6-5-14(10-15)18(19)21(27)24-11-13-3-7-17(8-4-13)25-20(26)16-2-1-9-23-12-16/h1-4,7-9,12,14-15,18-19H,5-6,10-11,22H2,(H,24,27)(H,25,26)
InChIKeyMQNGCGJKXLYQNW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.32
Rot. Bonds5

About N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 119870453) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID119870453
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C21H24N4O2/c22-19-15-6-5-14(10-15)18(19)21(27)24-11-13-3-7-17(8-4-13)25-20(26)16-2-1-9-23-12-16/h1-4,7-9,12,14-15,18-19H,5-6,10-11,22H2,(H,24,27)(H,25,26)
InChIKeyMQNGCGJKXLYQNW-UHFFFAOYSA-N
XLogP2.32
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 119870453) is N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide is NC1C2CCC(C2)C1C(=O)NCc1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MQNGCGJKXLYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-19-15-6-5-14(10-15)18(19)21(27)24-11-13-3-7-17(8-4-13)25-20(26)16-2-1-9-23-12-16/h1-4,7-9,12,14-15,18-19H,5-6,10-11,22H2,(H,24,27)(H,25,26).
What are the key properties of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 119870453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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