N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C16H22FN3O — CID 105386485

IUPACN,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CC2CC2)CC2CC2)c1F
InChIInChI=1S/C16H22FN3O/c1-2-18-15-14(17)13(7-8-19-15)16(21)20(9-11-3-4-11)10-12-5-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyXHWDFCRHVBLNBA-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.91
Rot. Bonds7

About N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105386485) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105386485
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CC2CC2)CC2CC2)c1F
InChIInChI=1S/C16H22FN3O/c1-2-18-15-14(17)13(7-8-19-15)16(21)20(9-11-3-4-11)10-12-5-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19)
InChIKeyXHWDFCRHVBLNBA-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
2-(ethylamino)-3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105385257
2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105387232
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 105385344
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384494

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105386485) is N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)N(CC2CC2)CC2CC2)c1F.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is XHWDFCRHVBLNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-2-18-15-14(17)13(7-8-19-15)16(21)20(9-11-3-4-11)10-12-5-6-12/h7-8,11-12H,2-6,9-10H2,1H3,(H,18,19).
What are the key properties of N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 291.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105386485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).