N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide

C19H24FN3O — CID 95145307

IUPACN-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)[C@@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C19H24FN3O/c1-3-4-11-22-18(24)14-23(2)19(17-10-5-6-12-21-17)15-8-7-9-16(20)13-15/h5-10,12-13,19H,3-4,11,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyAXOQZLXVQSMWTL-IBGZPJMESA-N
MW329.42 g/mol
LogP3.16
Rot. Bonds8

About N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide

N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide (PubChem CID 95145307) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide
PubChem CID95145307
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)[C@@H](c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C19H24FN3O/c1-3-4-11-22-18(24)14-23(2)19(17-10-5-6-12-21-17)15-8-7-9-16(20)13-15/h5-10,12-13,19H,3-4,11,14H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyAXOQZLXVQSMWTL-IBGZPJMESA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-prop-2-enylurea
CID 95330331
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-phenylurea
CID 95150596
N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylpyrazine-2-carboxamide
CID 95330210
1-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-2-ylmethanamine
CID 75375178
N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylcyclopentanecarboxamide
CID 95307336
4-(4-fluorophenyl)-N-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methyl-4-oxobutanamide
CID 52524823
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
2-(cyclopropylmethoxy)-N-[(R)-(3-fluorophenyl)-pyridin-2-ylmethyl]-N-methylacetamide
CID 95282605
2-[[(S)-(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]-methylamino]-N-[(2S)-octan-2-yl]acetamide
CID 95774073
2-[benzhydryl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 8730291
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
1-(3-fluorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 81402285

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide?
The IUPAC name of N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide (CID 95145307) is N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide?
The canonical SMILES for N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide is CCCCNC(=O)CN(C)[C@@H](c1cccc(F)c1)c1ccccn1.
What is the InChIKey of N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide?
The InChIKey is AXOQZLXVQSMWTL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-4-11-22-18(24)14-23(2)19(17-10-5-6-12-21-17)15-8-7-9-16(20)13-15/h5-10,12-13,19H,3-4,11,14H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide?
N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide has a molecular weight of 329.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-methylamino]acetamide is sourced from PubChem (CID 95145307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).