N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide

C25H29FN4O4 — CID 71025720

IUPACN-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide
SMILESCC1CCC(C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncc(O)c3)CC2)c(F)c1
InChIInChI=1S/C25H29FN4O4/c1-14-4-5-15(2)30(14)23(33)17-6-7-20(21(26)11-17)16(3)28-24(34)25(8-9-25)29-22(32)18-10-19(31)13-27-12-18/h6-7,10-16,31H,4-5,8-9H2,1-3H3,(H,28,34)(H,29,32)/t14?,15?,16-/m1/s1
InChIKeyIWDHIBPUQDHNLD-UYSNPLJNSA-N
MW468.53 g/mol
LogP3.08
Rot. Bonds6

About N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide

N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 71025720) has the molecular formula C25H29FN4O4 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide
PubChem CID71025720
Molecular FormulaC25H29FN4O4
Molecular Weight468.53 g/mol
Exact Mass468.22
IUPAC NameN-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide
SMILESCC1CCC(C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncc(O)c3)CC2)c(F)c1
InChIInChI=1S/C25H29FN4O4/c1-14-4-5-15(2)30(14)23(33)17-6-7-20(21(26)11-17)16(3)28-24(34)25(8-9-25)29-22(32)18-10-19(31)13-27-12-18/h6-7,10-16,31H,4-5,8-9H2,1-3H3,(H,28,34)(H,29,32)/t14?,15?,16-/m1/s1
InChIKeyIWDHIBPUQDHNLD-UYSNPLJNSA-N
XLogP3.08
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide (CID 71025720) is N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide is CC1CCC(C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncc(O)c3)CC2)c(F)c1.
What is the InChIKey of N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is IWDHIBPUQDHNLD-UYSNPLJNSA-N. The full InChI is InChI=1S/C25H29FN4O4/c1-14-4-5-15(2)30(14)23(33)17-6-7-20(21(26)11-17)16(3)28-24(34)25(8-9-25)29-22(32)18-10-19(31)13-27-12-18/h6-7,10-16,31H,4-5,8-9H2,1-3H3,(H,28,34)(H,29,32)/t14?,15?,16-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide?
N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 71025720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).