6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide

C26H34N6O — CID 77419838

IUPAC6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNc1ccc(C23CC4CC(CC(C4)C2)C3)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C26H34N6O/c27-19-2-1-7-32(15-19)22-5-6-29-14-21(22)30-25(33)24-20(28)3-4-23(31-24)26-11-16-8-17(12-26)10-18(9-16)13-26/h3-6,14,16-19H,1-2,7-13,15,27-28H2,(H,30,33)
InChIKeyUSSWHXXDISVPFK-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.71
Rot. Bonds4

About 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide

6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 77419838) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID77419838
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESNc1ccc(C23CC4CC(CC(C4)C2)C3)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C26H34N6O/c27-19-2-1-7-32(15-19)22-5-6-29-14-21(22)30-25(33)24-20(28)3-4-23(31-24)26-11-16-8-17(12-26)10-18(9-16)13-26/h3-6,14,16-19H,1-2,7-13,15,27-28H2,(H,30,33)
InChIKeyUSSWHXXDISVPFK-UHFFFAOYSA-N
XLogP3.71
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
CID 72725607
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methylthiophen-2-yl)pyridine-2-carboxamide
CID 77420686
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 25051457
6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419885
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide
CID 77420803
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51002498
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67499805
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 58182177
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 77420647
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-5-phenylpyridine-2-carboxamide
CID 77420756
5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 51001945
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 77420726

Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 77419838) is 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide is Nc1ccc(C23CC4CC(CC(C4)C2)C3)nc1C(=O)Nc1cnccc1N1CCCC(N)C1.
What is the InChIKey of 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is USSWHXXDISVPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c27-19-2-1-7-32(15-19)22-5-6-29-14-21(22)30-25(33)24-20(28)3-4-23(31-24)26-11-16-8-17(12-26)10-18(9-16)13-26/h3-6,14,16-19H,1-2,7-13,15,27-28H2,(H,30,33).
What are the key properties of 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 77419838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).