N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide

C13H18FN3O — CID 105385151

IUPACN-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(C)CC2CC2)c1F
InChIInChI=1S/C13H18FN3O/c1-3-15-12-11(14)10(6-7-16-12)13(18)17(2)8-9-4-5-9/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyYQOCTXWMHOQWQC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.13
Rot. Bonds5

About N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide

N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 105385151) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
PubChem CID105385151
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(C)CC2CC2)c1F
InChIInChI=1S/C13H18FN3O/c1-3-15-12-11(14)10(6-7-16-12)13(18)17(2)8-9-4-5-9/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyYQOCTXWMHOQWQC-UHFFFAOYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386485
N-(cyclobutylmethyl)-2,3-difluoro-N-methylpyridine-4-carboxamide
CID 105381168
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105387232
N-cycloheptyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384727
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 103191115
2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
2-(ethylamino)-3-fluoro-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 105385769
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105387029
N-(cyclopropylmethyl)-2-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62235862
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 63275138
3-fluoro-2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 105387899

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide (CID 105385151) is N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide is CCNc1nccc(C(=O)N(C)CC2CC2)c1F.
What is the InChIKey of N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is YQOCTXWMHOQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-3-15-12-11(14)10(6-7-16-12)13(18)17(2)8-9-4-5-9/h6-7,9H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide?
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 105385151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).