N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C27H37N5O3 — CID 26361626

IUPACN-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3cn(C(C)C)cc(C(=O)NC4CCCCCC4)c3=O)CC2)n1
InChIInChI=1S/C27H37N5O3/c1-19(2)32-17-22(26(34)29-21-10-6-4-5-7-11-21)25(33)23(18-32)27(35)31-15-13-30(14-16-31)24-12-8-9-20(3)28-24/h8-9,12,17-19,21H,4-7,10-11,13-16H2,1-3H3,(H,29,34)
InChIKeyLDVUFTDEJHSHKG-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.55
Rot. Bonds5

About N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 26361626) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID26361626
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC NameN-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1cccc(N2CCN(C(=O)c3cn(C(C)C)cc(C(=O)NC4CCCCCC4)c3=O)CC2)n1
InChIInChI=1S/C27H37N5O3/c1-19(2)32-17-22(26(34)29-21-10-6-4-5-7-11-21)25(33)23(18-32)27(35)31-15-13-30(14-16-31)24-12-8-9-20(3)28-24/h8-9,12,17-19,21H,4-7,10-11,13-16H2,1-3H3,(H,29,34)
InChIKeyLDVUFTDEJHSHKG-UHFFFAOYSA-N
XLogP3.55
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-4-oxo-5-(4-phenylpiperazine-1-carbonyl)-1-propan-2-ylpyridine-3-carboxamide
CID 42166830
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CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
N-cyclohexyl-1-(2-methylpropyl)-4-oxo-5-(thiomorpholine-4-carbonyl)pyridine-3-carboxamide
CID 42463229
N-cyclohexyl-1-cyclopropyl-5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 42432926
N-(cyclohexylmethyl)-5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 42345402
6-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 84573746
6-(azepan-1-yl)-N-cycloheptylpyridine-2-carboxamide
CID 84573847
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584
2-methyl-1-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-one
CID 133482860
2-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125023608
4-(5-methylfuran-2-carbonyl)-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperazine-1-carboxamide
CID 86964429

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 26361626) is N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1cccc(N2CCN(C(=O)c3cn(C(C)C)cc(C(=O)NC4CCCCCC4)c3=O)CC2)n1.
What is the InChIKey of N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LDVUFTDEJHSHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-19(2)32-17-22(26(34)29-21-10-6-4-5-7-11-21)25(33)23(18-32)27(35)31-15-13-30(14-16-31)24-12-8-9-20(3)28-24/h8-9,12,17-19,21H,4-7,10-11,13-16H2,1-3H3,(H,29,34).
What are the key properties of N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 26361626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).