N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide

C21H30N4O — CID 25396636

IUPACN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cn2)CC1
InChIInChI=1S/C21H30N4O/c1-24-4-6-25(7-5-24)19-3-2-18(14-22-19)23-20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,14-17H,4-13H2,1H3,(H,23,26)
InChIKeyPKQJSQPITYAZQR-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.99
Rot. Bonds3

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide (PubChem CID 25396636) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
PubChem CID25396636
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cn2)CC1
InChIInChI=1S/C21H30N4O/c1-24-4-6-25(7-5-24)19-3-2-18(14-22-19)23-20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,14-17H,4-13H2,1H3,(H,23,26)
InChIKeyPKQJSQPITYAZQR-UHFFFAOYSA-N
XLogP2.99
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18133630
3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide
CID 17438019
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18151192
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 111536468
(2R)-1-(adamantane-1-carbonyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51929068
1-(3-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 37049250
1-methyl-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]thiourea
CID 94591482
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
N-(2-methoxypyrimidin-5-yl)adamantane-1-carboxamide
CID 122301516

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide (CID 25396636) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide is CN1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide?
The InChIKey is PKQJSQPITYAZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-24-4-6-25(7-5-24)19-3-2-18(14-22-19)23-20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h2-3,14-17H,4-13H2,1H3,(H,23,26).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide?
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide is sourced from PubChem (CID 25396636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).