2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide

C23H31FN4O — CID 25060782

IUPAC2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide
SMILESCCN(c1ccc(CN(C(=O)C(N)CC(C)C)c2ccc(F)cc2)cn1)C1CC1
InChIInChI=1S/C23H31FN4O/c1-4-27(19-10-11-19)22-12-5-17(14-26-22)15-28(20-8-6-18(24)7-9-20)23(29)21(25)13-16(2)3/h5-9,12,14,16,19,21H,4,10-11,13,15,25H2,1-3H3
InChIKeySJOIPPKQENXQKA-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.12
Rot. Bonds9

About 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide

2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide (PubChem CID 25060782) has the molecular formula C23H31FN4O and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide
PubChem CID25060782
Molecular FormulaC23H31FN4O
Molecular Weight398.53 g/mol
Exact Mass398.25
IUPAC Name2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide
SMILESCCN(c1ccc(CN(C(=O)C(N)CC(C)C)c2ccc(F)cc2)cn1)C1CC1
InChIInChI=1S/C23H31FN4O/c1-4-27(19-10-11-19)22-12-5-17(14-26-22)15-28(20-8-6-18(24)7-9-20)23(29)21(25)13-16(2)3/h5-9,12,14,16,19,21H,4,10-11,13,15,25H2,1-3H3
InChIKeySJOIPPKQENXQKA-UHFFFAOYSA-N
XLogP4.12
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide?
The IUPAC name of 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide (CID 25060782) is 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide is CCN(c1ccc(CN(C(=O)C(N)CC(C)C)c2ccc(F)cc2)cn1)C1CC1.
What is the InChIKey of 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide?
The InChIKey is SJOIPPKQENXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O/c1-4-27(19-10-11-19)22-12-5-17(14-26-22)15-28(20-8-6-18(24)7-9-20)23(29)21(25)13-16(2)3/h5-9,12,14,16,19,21H,4,10-11,13,15,25H2,1-3H3.
What are the key properties of 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide?
2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide has a molecular weight of 398.53 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide is sourced from PubChem (CID 25060782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).