5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide

C19H22N4O — CID 155538341

IUPAC5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2cncc(N3CC4CC(C3)N4)c2)c1
InChIInChI=1S/C19H22N4O/c1-2-13-4-3-5-15(6-13)22-19(24)14-7-18(10-20-9-14)23-11-16-8-17(12-23)21-16/h3-7,9-10,16-17,21H,2,8,11-12H2,1H3,(H,22,24)
InChIKeyMDGVMKLLRUZDLB-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.45
Rot. Bonds4

About 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide

5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide (PubChem CID 155538341) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide
PubChem CID155538341
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide
SMILESCCc1cccc(NC(=O)c2cncc(N3CC4CC(C3)N4)c2)c1
InChIInChI=1S/C19H22N4O/c1-2-13-4-3-5-15(6-13)22-19(24)14-7-18(10-20-9-14)23-11-16-8-17(12-23)21-16/h3-7,9-10,16-17,21H,2,8,11-12H2,1H3,(H,22,24)
InChIKeyMDGVMKLLRUZDLB-UHFFFAOYSA-N
XLogP2.45
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Niaprazine
CID 71919
5-((2-Methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)amino)pyridine-3-carboxamide
CID 24875320
N-(3-Pyridyl)nicotinamide
CID 202725
Phenatine
CID 120640
N-{3-[(1S)-1-[(5-bromopyridin-3-yl)amino]ethyl]phenyl}-5-methylpyridine-3-carboxamide
CID 25218463
N-(4-aminobiphenyl-3-yl)nicotinamide
CID 44454415
(S)-3-Amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2,6-difluorophenyl)picolinamide
CID 24894053
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 44516943
5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 44517274
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
CID 68187375
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 68187593
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-3-ylpyridine-2-carboxamide
CID 68187641

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide (CID 155538341) is 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide is CCc1cccc(NC(=O)c2cncc(N3CC4CC(C3)N4)c2)c1.
What is the InChIKey of 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide?
The InChIKey is MDGVMKLLRUZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-13-4-3-5-15(6-13)22-19(24)14-7-18(10-20-9-14)23-11-16-8-17(12-23)21-16/h3-7,9-10,16-17,21H,2,8,11-12H2,1H3,(H,22,24).
What are the key properties of 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide?
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3-ethylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155538341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).