N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide

C14H19FN4O — CID 105385760

IUPACN-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CCC#N)C(C)C)c1F
InChIInChI=1S/C14H19FN4O/c1-4-17-13-12(15)11(6-8-18-13)14(20)19(10(2)3)9-5-7-16/h6,8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyCPKGHRYHXNYLGV-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.42
Rot. Bonds6

About N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide

N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 105385760) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
PubChem CID105385760
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CCC#N)C(C)C)c1F
InChIInChI=1S/C14H19FN4O/c1-4-17-13-12(15)11(6-8-18-13)14(20)19(10(2)3)9-5-7-16/h6,8,10H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyCPKGHRYHXNYLGV-UHFFFAOYSA-N
XLogP2.42
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
N-(2-cyanoethyl)-N-cyclopropyl-3-fluoro-2-(propylamino)pyridine-4-carboxamide
CID 105385444
2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105387232
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769
2-(ethylamino)-3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105385257
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 61040490
N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386485
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
4-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81225108

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide (CID 105385760) is N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide is CCNc1nccc(C(=O)N(CCC#N)C(C)C)c1F.
What is the InChIKey of N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is CPKGHRYHXNYLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-4-17-13-12(15)11(6-8-18-13)14(20)19(10(2)3)9-5-7-16/h6,8,10H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide?
N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105385760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).