2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide

C14H22FN3O — CID 105384784

IUPAC2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccnc(NCC)c1F)C(C)C
InChIInChI=1S/C14H22FN3O/c1-5-9-18(10(3)4)14(19)11-7-8-17-13(12(11)15)16-6-2/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyTXVFUGQBRKMFDO-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.91
Rot. Bonds6

About 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide

2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide (PubChem CID 105384784) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
PubChem CID105384784
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccnc(NCC)c1F)C(C)C
InChIInChI=1S/C14H22FN3O/c1-5-9-18(10(3)4)14(19)11-7-8-17-13(12(11)15)16-6-2/h7-8,10H,5-6,9H2,1-4H3,(H,16,17)
InChIKeyTXVFUGQBRKMFDO-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105385760
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105387232
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
N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386485
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494
N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388218
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105385519

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide (CID 105384784) is 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide is CCCN(C(=O)c1ccnc(NCC)c1F)C(C)C.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide?
The InChIKey is TXVFUGQBRKMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-5-9-18(10(3)4)14(19)11-7-8-17-13(12(11)15)16-6-2/h7-8,10H,5-6,9H2,1-4H3,(H,16,17).
What are the key properties of 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide?
2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 105384784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).