N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide

C24H39N7O — CID 176964920

IUPACN-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESC=N/C(=N\C(NC)=C(C)C)C(CC)CC(C)N1CCN(c2ccc(C(=O)NC)nc2)CC1
InChIInChI=1S/C24H39N7O/c1-8-19(23(26-6)29-22(25-5)17(2)3)15-18(4)30-11-13-31(14-12-30)20-9-10-21(28-16-20)24(32)27-7/h9-10,16,18-19,25H,6,8,11-15H2,1-5,7H3,(H,27,32)/b29-23-
InChIKeyMAJNNRBMAOLPCF-FAJYDZGRSA-N
MW441.62 g/mol
LogP2.94
Rot. Bonds9

About N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176964920) has the molecular formula C24H39N7O and a molecular weight of 441.62 g/mol. Its IUPAC name is N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176964920
Molecular FormulaC24H39N7O
Molecular Weight441.62 g/mol
Exact Mass441.32
IUPAC NameN-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESC=N/C(=N\C(NC)=C(C)C)C(CC)CC(C)N1CCN(c2ccc(C(=O)NC)nc2)CC1
InChIInChI=1S/C24H39N7O/c1-8-19(23(26-6)29-22(25-5)17(2)3)15-18(4)30-11-13-31(14-12-30)20-9-10-21(28-16-20)24(32)27-7/h9-10,16,18-19,25H,6,8,11-15H2,1-5,7H3,(H,27,32)/b29-23-
InChIKeyMAJNNRBMAOLPCF-FAJYDZGRSA-N
XLogP2.94
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.62
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
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5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
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ethane;5-[4-[3-fluoropentyl(methyl)amino]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149242
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CID 109195506
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
5-[4-[4-(5-ethyl-6-oxo-1H-pyrazin-2-yl)pentan-2-yl]piperazin-1-yl]-6-fluoro-N-methylpyridine-2-carboxamide
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N-methyl-5-[4-[(1S)-1-(7-methyl-6-oxo-8aH-1,5-naphthyridin-3-yl)ethyl]piperazin-1-yl]pyridine-2-carboxamide
CID 167845050
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
5-[4-[1-[(3S)-3-ethyl-2-oxo-1H-pyrido[2,3-b][1,4]oxazin-7-yl]ethyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 169189563

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide (CID 176964920) is N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide is C=N/C(=N\C(NC)=C(C)C)C(CC)CC(C)N1CCN(c2ccc(C(=O)NC)nc2)CC1.
What is the InChIKey of N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is MAJNNRBMAOLPCF-FAJYDZGRSA-N. The full InChI is InChI=1S/C24H39N7O/c1-8-19(23(26-6)29-22(25-5)17(2)3)15-18(4)30-11-13-31(14-12-30)20-9-10-21(28-16-20)24(32)27-7/h9-10,16,18-19,25H,6,8,11-15H2,1-5,7H3,(H,27,32)/b29-23-.
What are the key properties of N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 441.62 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[4-[(Z)-N-methylidene-N'-[2-methyl-1-(methylamino)prop-1-enyl]carbamimidoyl]hexan-2-yl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176964920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).