N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide

C18H19FN4O — CID 55843504

IUPACN-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cn1
InChIInChI=1S/C18H19FN4O/c1-3-23(4-2)17-9-8-12(11-20-17)21-18(24)16-10-13-14(19)6-5-7-15(13)22-16/h5-11,22H,3-4H2,1-2H3,(H,21,24)
InChIKeyKPDLZIOGPNGWKH-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.80
Rot. Bonds5

About N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide

N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide (PubChem CID 55843504) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
PubChem CID55843504
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cn1
InChIInChI=1S/C18H19FN4O/c1-3-23(4-2)17-9-8-12(11-20-17)21-18(24)16-10-13-14(19)6-5-7-15(13)22-16/h5-11,22H,3-4H2,1-2H3,(H,21,24)
InChIKeyKPDLZIOGPNGWKH-UHFFFAOYSA-N
XLogP3.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(carbamoylamino)phenyl]-4-fluoro-1H-indole-2-carboxamide
CID 36852655
N-[6-(diethylamino)-3-pyridinyl]-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 112842711
4-fluoro-N-[4-(methanesulfonamido)phenyl]-1H-indole-2-carboxamide
CID 36817888
4-fluoro-N-[4-(propan-2-ylcarbamoylamino)phenyl]-1H-indole-2-carboxamide
CID 36865190
6-bromo-N-[6-(diethylamino)-3-pyridinyl]pyridine-2-carboxamide
CID 103910107
4-fluoro-N-[3-(methoxymethyl)phenyl]-1H-indole-2-carboxamide
CID 32639423
4-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-indole-2-carboxamide
CID 36805707
4-fluoro-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-1H-indole-2-carboxamide
CID 60552905
N-[6-(diethylamino)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 60971845
N-(3-cyanophenyl)-4-fluoro-1H-indole-2-carboxamide
CID 110864757
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-3-(methoxymethyl)-1-benzothiophene-2-carboxamide
CID 55784125
N-[6-(diethylamino)-3-pyridinyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 55784472

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide (CID 55843504) is N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cn1.
What is the InChIKey of N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide?
The InChIKey is KPDLZIOGPNGWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-3-23(4-2)17-9-8-12(11-20-17)21-18(24)16-10-13-14(19)6-5-7-15(13)22-16/h5-11,22H,3-4H2,1-2H3,(H,21,24).
What are the key properties of N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide?
N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-3-pyridinyl]-4-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 55843504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).