4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide

C23H29FN4O2 — CID 162682920

IUPAC4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1CC1(NC(=O)c2cc(N3CCC(CN)CC3)ccn2)CC1
InChIInChI=1S/C23H29FN4O2/c1-30-21-3-2-18(24)12-17(21)14-23(7-8-23)27-22(29)20-13-19(4-9-26-20)28-10-5-16(15-25)6-11-28/h2-4,9,12-13,16H,5-8,10-11,14-15,25H2,1H3,(H,27,29)
InChIKeyDBZCPWKWTKDDQV-UHFFFAOYSA-N
MW412.51 g/mol
LogP2.91
Rot. Bonds7

About 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide

4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide (PubChem CID 162682920) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
PubChem CID162682920
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
SMILESCOc1ccc(F)cc1CC1(NC(=O)c2cc(N3CCC(CN)CC3)ccn2)CC1
InChIInChI=1S/C23H29FN4O2/c1-30-21-3-2-18(24)12-17(21)14-23(7-8-23)27-22(29)20-13-19(4-9-26-20)28-10-5-16(15-25)6-11-28/h2-4,9,12-13,16H,5-8,10-11,14-15,25H2,1H3,(H,27,29)
InChIKeyDBZCPWKWTKDDQV-UHFFFAOYSA-N
XLogP2.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide with MolForge

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Related Compounds

4-(3,3-dimethylpiperidin-1-yl)-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682808
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[(2R)-2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682810
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]pyridine-2-carboxamide
CID 162682831
N-[1-[(3,5-difluoro-2-methoxyphenyl)methyl]cyclopropyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 162682953
4-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-N-[1-[(1-methylpyrazol-3-yl)methyl]cyclopropyl]pyridine-2-carboxamide
CID 162682747
N-[1-[(2-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 162682814
N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]-1-(2-hydroxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 162682754
N-[1-[(3-fluorophenyl)methyl]cyclopropyl]-4-[(3S)-3-hydroxypiperidin-1-yl]pyridine-2-carboxamide
CID 162682695
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
1-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 83688380
methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 66287702
N-(1-benzylcyclopropyl)-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 162682804

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide (CID 162682920) is 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide is COc1ccc(F)cc1CC1(NC(=O)c2cc(N3CCC(CN)CC3)ccn2)CC1.
What is the InChIKey of 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide?
The InChIKey is DBZCPWKWTKDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-30-21-3-2-18(24)12-17(21)14-23(7-8-23)27-22(29)20-13-19(4-9-26-20)28-10-5-16(15-25)6-11-28/h2-4,9,12-13,16H,5-8,10-11,14-15,25H2,1H3,(H,27,29).
What are the key properties of 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide?
4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)piperidin-1-yl]-N-[1-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 162682920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).