N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide

C23H24FN5O3 — CID 134357045

IUPACN-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCN(C(=O)C1=C(C=O)CCCN1CC(=O)Nc1cnc(-c2cccnc2)c(F)c1)C1CC1
InChIInChI=1S/C23H24FN5O3/c1-28(18-6-7-18)23(32)22-16(14-30)5-3-9-29(22)13-20(31)27-17-10-19(24)21(26-12-17)15-4-2-8-25-11-15/h2,4,8,10-12,14,18H,3,5-7,9,13H2,1H3,(H,27,31)
InChIKeyQQOYHQOBDAHBJR-UHFFFAOYSA-N
MW437.48 g/mol
LogP2.39
Rot. Bonds7

About N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide

N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 134357045) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID134357045
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC NameN-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCN(C(=O)C1=C(C=O)CCCN1CC(=O)Nc1cnc(-c2cccnc2)c(F)c1)C1CC1
InChIInChI=1S/C23H24FN5O3/c1-28(18-6-7-18)23(32)22-16(14-30)5-3-9-29(22)13-20(31)27-17-10-19(24)21(26-12-17)15-4-2-8-25-11-15/h2,4,8,10-12,14,18H,3,5-7,9,13H2,1H3,(H,27,31)
InChIKeyQQOYHQOBDAHBJR-UHFFFAOYSA-N
XLogP2.39
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356998
5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357038
5-formyl-N,N-dimethyl-1-[2-[[5-(6-methyl-3-pyridinyl)pyrazin-2-yl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357033
5-formyl-N,N-dimethyl-1-[2-[[5-(5-methylpyrazin-2-yl)-2-pyridinyl]amino]-2-oxoethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357420
5-formyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356964
N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357136
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-methyl-5-pyridin-3-ylpyrazin-2-yl)acetamide
CID 118183089
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-methyl-6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118183158
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(4-pyridin-3-ylphenyl)acetamide
CID 118174114
2-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 171334962
ethyl 5-fluoro-6-pyridin-3-ylpyridine-3-carboxylate
CID 46317855
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide (CID 134357045) is N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide is CN(C(=O)C1=C(C=O)CCCN1CC(=O)Nc1cnc(-c2cccnc2)c(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is QQOYHQOBDAHBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-28(18-6-7-18)23(32)22-16(14-30)5-3-9-29(22)13-20(31)27-17-10-19(24)21(26-12-17)15-4-2-8-25-11-15/h2,4,8,10-12,14,18H,3,5-7,9,13H2,1H3,(H,27,31).
What are the key properties of N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide?
N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 134357045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).