N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide

C25H22F2N4O — CID 45376144

IUPACN-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(c1ncccc1-c1ccc(F)nc1)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
InChIInChI=1S/C25H22F2N4O/c26-19-6-7-22-21(12-19)18(13-29-22)9-11-31(15-16-3-4-16)25(32)24-20(2-1-10-28-24)17-5-8-23(27)30-14-17/h1-2,5-8,10,12-14,16,29H,3-4,9,11,15H2
InChIKeyBIWRSFMFYDUSJV-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.00
Rot. Bonds7

About N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide

N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 45376144) has the molecular formula C25H22F2N4O and a molecular weight of 432.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide
PubChem CID45376144
Molecular FormulaC25H22F2N4O
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC NameN-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide
SMILESO=C(c1ncccc1-c1ccc(F)nc1)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1
InChIInChI=1S/C25H22F2N4O/c26-19-6-7-22-21(12-19)18(13-29-22)9-11-31(15-16-3-4-16)25(32)24-20(2-1-10-28-24)17-5-8-23(27)30-14-17/h1-2,5-8,10,12-14,16,29H,3-4,9,11,15H2
InChIKeyBIWRSFMFYDUSJV-UHFFFAOYSA-N
XLogP5.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-6-methoxy-3-pyridin-3-ylpyridine-2-carboxamide
CID 67394732
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-5-carboxamide
CID 67231003
N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 67234284
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluorophenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 150924931
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propylpyrazine-2-carboxamide
CID 45377349
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 45377350
N-(cyclopropylmethyl)-3-(2-fluoro-5-methoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67232730
[2-(5-fluoro-1H-indol-3-yl)ethyl-[3-(4-fluoro-3-methylphenyl)pyrazine-2-carbonyl]amino]methyl acetate
CID 152561012
2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87384174
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 110731484
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-phenyl-N-propan-2-ylpyrazine-2-carboxamide
CID 45377488
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-fluoro-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395183

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide (CID 45376144) is N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide is O=C(c1ncccc1-c1ccc(F)nc1)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is BIWRSFMFYDUSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O/c26-19-6-7-22-21(12-19)18(13-29-22)9-11-31(15-16-3-4-16)25(32)24-20(2-1-10-28-24)17-5-8-23(27)30-14-17/h1-2,5-8,10,12-14,16,29H,3-4,9,11,15H2.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide?
N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(6-fluoro-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 45376144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).