1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

C22H24FN5O3 — CID 134356987

IUPAC1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCC(C(=O)Nc1ccc(-c2cccnc2F)cn1)N1CCCC(C=O)=C1C(=O)N(C)C
InChIInChI=1S/C22H24FN5O3/c1-14(28-11-5-6-16(13-29)19(28)22(31)27(2)3)21(30)26-18-9-8-15(12-25-18)17-7-4-10-24-20(17)23/h4,7-10,12-14H,5-6,11H2,1-3H3,(H,25,26,30)
InChIKeyNCKOGIXQWHHZAX-UHFFFAOYSA-N
MW425.46 g/mol
LogP2.25
Rot. Bonds6

About 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide

1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 134356987) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID134356987
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCC(C(=O)Nc1ccc(-c2cccnc2F)cn1)N1CCCC(C=O)=C1C(=O)N(C)C
InChIInChI=1S/C22H24FN5O3/c1-14(28-11-5-6-16(13-29)19(28)22(31)27(2)3)21(30)26-18-9-8-15(12-25-18)17-7-4-10-24-20(17)23/h4,7-10,12-14H,5-6,11H2,1-3H3,(H,25,26,30)
InChIKeyNCKOGIXQWHHZAX-UHFFFAOYSA-N
XLogP2.25
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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-[[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-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356964
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
2-(2-oxopyrrolidin-1-yl)-N-(5-pyridin-2-yl-2-pyridinyl)butanamide
CID 84594786
(2R)-N-(5-pyridin-2-yl-2-pyridinyl)-2-thiomorpholin-4-ylpropanamide
CID 97251269
(2S)-N-[5-(dimethylamino)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 96510144
N-[5-(2-chloro-3-pyridinyl)-2-pyridinyl]acetamide
CID 90094997
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
N-(5-bromo-2-pyridinyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906112
(2R)-N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 25311957
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 25397777

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide (CID 134356987) is 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide is CC(C(=O)Nc1ccc(-c2cccnc2F)cn1)N1CCCC(C=O)=C1C(=O)N(C)C.
What is the InChIKey of 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is NCKOGIXQWHHZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-14(28-11-5-6-16(13-29)19(28)22(31)27(2)3)21(30)26-18-9-8-15(12-25-18)17-7-4-10-24-20(17)23/h4,7-10,12-14H,5-6,11H2,1-3H3,(H,25,26,30).
What are the key properties of 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide?
1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(2-fluoro-3-pyridinyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]-5-formyl-N,N-dimethyl-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 134356987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).