N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide

C20H29N5O — CID 155511568

IUPACN-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide
SMILESCc1cncn1C(C)C(=O)NCc1cccnc1C1CCCN(C)CC1
InChIInChI=1S/C20H29N5O/c1-15-12-21-14-25(15)16(2)20(26)23-13-18-6-4-9-22-19(18)17-7-5-10-24(3)11-8-17/h4,6,9,12,14,16-17H,5,7-8,10-11,13H2,1-3H3,(H,23,26)
InChIKeyLCFCRUDLPGTLCB-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.66
Rot. Bonds5

About N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide

N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide (PubChem CID 155511568) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide
PubChem CID155511568
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide
SMILESCc1cncn1C(C)C(=O)NCc1cccnc1C1CCCN(C)CC1
InChIInChI=1S/C20H29N5O/c1-15-12-21-14-25(15)16(2)20(26)23-13-18-6-4-9-22-19(18)17-7-5-10-24(3)11-8-17/h4,6,9,12,14,16-17H,5,7-8,10-11,13H2,1-3H3,(H,23,26)
InChIKeyLCFCRUDLPGTLCB-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide?
The IUPAC name of N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide (CID 155511568) is N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide is Cc1cncn1C(C)C(=O)NCc1cccnc1C1CCCN(C)CC1.
What is the InChIKey of N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide?
The InChIKey is LCFCRUDLPGTLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15-12-21-14-25(15)16(2)20(26)23-13-18-6-4-9-22-19(18)17-7-5-10-24(3)11-8-17/h4,6,9,12,14,16-17H,5,7-8,10-11,13H2,1-3H3,(H,23,26).
What are the key properties of N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide?
N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide has a molecular weight of 355.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylazepan-4-yl)-3-pyridinyl]methyl]-2-(5-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 155511568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).