2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide

C23H32N6O — CID 46899721

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESNCC1CCN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1
InChIInChI=1S/C23H32N6O/c24-15-16-7-10-29(11-8-16)22-14-18(23(25)30)12-20(28-22)17-6-9-26-21(13-17)27-19-4-2-1-3-5-19/h6,9,12-14,16,19H,1-5,7-8,10-11,15,24H2,(H2,25,30)(H,26,27)
InChIKeyPNZJIQBIMCZAKU-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.16
Rot. Bonds6

About 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide

2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide (PubChem CID 46899721) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
PubChem CID46899721
Molecular FormulaC23H32N6O
Molecular Weight408.55 g/mol
Exact Mass408.26
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide
SMILESNCC1CCN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1
InChIInChI=1S/C23H32N6O/c24-15-16-7-10-29(11-8-16)22-14-18(23(25)30)12-20(28-22)17-6-9-26-21(13-17)27-19-4-2-1-3-5-19/h6,9,12-14,16,19H,1-5,7-8,10-11,15,24H2,(H2,25,30)(H,26,27)
InChIKeyPNZJIQBIMCZAKU-UHFFFAOYSA-N
XLogP3.16
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide (CID 46899721) is 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide is NCC1CCN(c2cc(C(N)=O)cc(-c3ccnc(NC4CCCCC4)c3)n2)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
The InChIKey is PNZJIQBIMCZAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c24-15-16-7-10-29(11-8-16)22-14-18(23(25)30)12-20(28-22)17-6-9-26-21(13-17)27-19-4-2-1-3-5-19/h6,9,12-14,16,19H,1-5,7-8,10-11,15,24H2,(H2,25,30)(H,26,27).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide?
2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-6-[2-(cyclohexylamino)-4-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 46899721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).