N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide

C20H17FN6O — CID 162512639

IUPACN-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ncc(F)c(-c3c[nH]c4ccccc34)n2)cn1
InChIInChI=1S/C20H17FN6O/c1-2-18(28)26-17-8-7-12(9-23-17)25-20-24-11-15(21)19(27-20)14-10-22-16-6-4-3-5-13(14)16/h3-11,22H,2H2,1H3,(H,23,26,28)(H,24,25,27)
InChIKeyRJGSZIZKBYNOEH-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.25
Rot. Bonds5

About N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide

N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide (PubChem CID 162512639) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide
PubChem CID162512639
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2ncc(F)c(-c3c[nH]c4ccccc34)n2)cn1
InChIInChI=1S/C20H17FN6O/c1-2-18(28)26-17-8-7-12(9-23-17)25-20-24-11-15(21)19(27-20)14-10-22-16-6-4-3-5-13(14)16/h3-11,22H,2H2,1H3,(H,23,26,28)(H,24,25,27)
InChIKeyRJGSZIZKBYNOEH-UHFFFAOYSA-N
XLogP4.25
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[5-fluoro-4-(7-fluoro-1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]propanamide
CID 166477656
5-fluoro-N-[4-(1-imino-1-oxo-1,4-thiazinan-4-yl)phenyl]-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 156576295
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(1H-indol-3-yl)acetamide
CID 113036437
2-(1H-indol-3-yl)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023581
N-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-2-methoxyphenyl]-5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 156804802
5-chloro-4-(1H-indol-3-yl)-N-[4-(methylsulfonimidoyl)phenyl]pyrimidin-2-amine
CID 156576120
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
N-[2-[2-(dimethylamino)ethylamino]-5-[[4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]acetamide
CID 166477808
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 122537877
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(methylamino)but-2-enoyl]amino]benzamide;methylsulfanylmethane
CID 163403839
N-[5-(2-chloroanilino)-2-pyridinyl]propanamide
CID 113033183
4-[4-(dimethylamino)butanoylamino]-N-[5-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]-2-methylphenyl]benzamide
CID 154953385

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide?
The IUPAC name of N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide (CID 162512639) is N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide?
The canonical SMILES for N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2ncc(F)c(-c3c[nH]c4ccccc34)n2)cn1.
What is the InChIKey of N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide?
The InChIKey is RJGSZIZKBYNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-2-18(28)26-17-8-7-12(9-23-17)25-20-24-11-15(21)19(27-20)14-10-22-16-6-4-3-5-13(14)16/h3-11,22H,2H2,1H3,(H,23,26,28)(H,24,25,27).
What are the key properties of N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide?
N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide has a molecular weight of 376.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-fluoro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-2-pyridinyl]propanamide is sourced from PubChem (CID 162512639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).