N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

C19H25N5O — CID 96549815

IUPACN-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)cn1
InChIInChI=1S/C19H25N5O/c1-15-5-6-17(12-21-15)13-22-19(25)24-10-8-23(9-11-24)16(2)18-4-3-7-20-14-18/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyDSCDVLNKVJXZIH-INIZCTEOSA-N
MW339.44 g/mol
LogP2.37
Rot. Bonds4

About N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide (PubChem CID 96549815) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
PubChem CID96549815
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)cn1
InChIInChI=1S/C19H25N5O/c1-15-5-6-17(12-21-15)13-22-19(25)24-10-8-23(9-11-24)16(2)18-4-3-7-20-14-18/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,25)/t16-/m0/s1
InChIKeyDSCDVLNKVJXZIH-INIZCTEOSA-N
XLogP2.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
CID 3505401
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
N-[(6-methyl-3-pyridinyl)methyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 51084629
N-(4,6-dimethyl-2-pyridinyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86793381
4-[(1R)-1-pyridin-3-ylethyl]-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
CID 96549824
N-(2-propan-2-ylcyclohexyl)-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953620
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
4-(4-methylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108569
4-methylsulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47125297
(1-aminocyclopropyl)-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone;trihydrochloride
CID 119903305
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108617
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953597

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide (CID 96549815) is N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN([C@@H](C)c3cccnc3)CC2)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
The InChIKey is DSCDVLNKVJXZIH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15-5-6-17(12-21-15)13-22-19(25)24-10-8-23(9-11-24)16(2)18-4-3-7-20-14-18/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 96549815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).