N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide

C18H24N4O2 — CID 84583874

IUPACN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-12-10-15(12)17(23)20-16-5-4-14(11-19-16)21-6-8-22(9-7-21)18(24)13-2-3-13/h4-5,11-13,15H,2-3,6-10H2,1H3,(H,19,20,23)
InChIKeyAOHPPCBNZDABEV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.73
Rot. Bonds4

About N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 84583874) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
PubChem CID84583874
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1
InChIInChI=1S/C18H24N4O2/c1-12-10-15(12)17(23)20-16-5-4-14(11-19-16)21-6-8-22(9-7-21)18(24)13-2-3-13/h4-5,11-13,15H,2-3,6-10H2,1H3,(H,19,20,23)
InChIKeyAOHPPCBNZDABEV-UHFFFAOYSA-N
XLogP1.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 75420475
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]cyclobutanecarboxamide
CID 84583872
4-[(2-methylcyclopropanecarbonyl)amino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 71896742
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 42564426
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]oxolane-3-carboxamide
CID 86850853
N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
cis-(1R,3S)-2,2-dimethyl-3-[(5-pyrrolidin-1-yl-2-pyridinyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 122065870
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-3-(cyclopropylcarbamoylamino)benzamide
CID 166203369
(2S,4S)-2-methyl-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-4-carboxamide;hydrochloride
CID 120632213

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide (CID 84583874) is N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)cn1.
What is the InChIKey of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is AOHPPCBNZDABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-10-15(12)17(23)20-16-5-4-14(11-19-16)21-6-8-22(9-7-21)18(24)13-2-3-13/h4-5,11-13,15H,2-3,6-10H2,1H3,(H,19,20,23).
What are the key properties of N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide?
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 84583874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).