2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide

C19H25N5O — CID 111659260

IUPAC2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
SMILESC/N=C(\NCC(=O)Nc1cccnc1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C19H25N5O/c1-14-6-4-7-16(10-14)15(2)11-22-19(20-3)23-13-18(25)24-17-8-5-9-21-12-17/h4-10,12,15H,11,13H2,1-3H3,(H,24,25)(H2,20,22,23)
InChIKeyBRANUFWQVKMVHF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.30
Rot. Bonds6

About 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide

2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide (PubChem CID 111659260) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
PubChem CID111659260
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide
SMILESC/N=C(\NCC(=O)Nc1cccnc1)NCC(C)c1cccc(C)c1
InChIInChI=1S/C19H25N5O/c1-14-6-4-7-16(10-14)15(2)11-22-19(20-3)23-13-18(25)24-17-8-5-9-21-12-17/h4-10,12,15H,11,13H2,1-3H3,(H,24,25)(H2,20,22,23)
InChIKeyBRANUFWQVKMVHF-UHFFFAOYSA-N
XLogP2.30
TPSA78.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-phenylacetamide
CID 111659735
2-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 111891253
2-[[N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 111347211
N-(3-fluorophenyl)-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]acetamide
CID 111343175
N-cyclohexyl-2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]acetamide
CID 111659609
2-[[N'-methyl-N-(5-methylhexyl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111579904
2-[(N-benzyl-N'-methylcarbamimidoyl)amino]-N-pyridin-3-ylacetamide
CID 110953442
N-(3-ethynylphenyl)-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]acetamide
CID 111342471
2-[[N'-methyl-N-(6-methylheptan-2-yl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111173837
2-[[N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-N'-methylcarbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 111312448
2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]-N-pyridin-3-ylacetamide
CID 110969344
2-[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111901378

Frequently Asked Questions

What is the IUPAC name of 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide (CID 111659260) is 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide is C/N=C(\NCC(=O)Nc1cccnc1)NCC(C)c1cccc(C)c1.
What is the InChIKey of 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
The InChIKey is BRANUFWQVKMVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14-6-4-7-16(10-14)15(2)11-22-19(20-3)23-13-18(25)24-17-8-5-9-21-12-17/h4-10,12,15H,11,13H2,1-3H3,(H,24,25)(H2,20,22,23).
What are the key properties of 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide?
2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide has a molecular weight of 339.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[N'-methyl-N-[2-(3-methylphenyl)propyl]carbamimidoyl]amino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 111659260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).