N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide

C19H22N4O3 — CID 143976803

IUPACN-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)c1ccc(-c2cc3[nH]ccc3cn2)o1)C(=O)NC
InChIInChI=1S/C19H22N4O3/c1-4-11(2)17(19(25)20-3)23-18(24)16-6-5-15(26-16)14-9-13-12(10-22-14)7-8-21-13/h5-11,17,21H,4H2,1-3H3,(H,20,25)(H,23,24)/t11?,17-/m0/s1
InChIKeyGIBCGMFDSBGSES-KLLZUTDZSA-N
MW354.41 g/mol
LogP2.71
Rot. Bonds6

About N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide

N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide (PubChem CID 143976803) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide
PubChem CID143976803
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide
SMILESCCC(C)[C@H](NC(=O)c1ccc(-c2cc3[nH]ccc3cn2)o1)C(=O)NC
InChIInChI=1S/C19H22N4O3/c1-4-11(2)17(19(25)20-3)23-18(24)16-6-5-15(26-16)14-9-13-12(10-22-14)7-8-21-13/h5-11,17,21H,4H2,1-3H3,(H,20,25)(H,23,24)/t11?,17-/m0/s1
InChIKeyGIBCGMFDSBGSES-KLLZUTDZSA-N
XLogP2.71
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
2-methylpropyl N-[[3-[5-[[(3R)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]carbamate
CID 143994822
4,5-dimethyl-N-[[2-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
CID 76807224
4,5-dimethyl-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]furan-2-carboxamide
CID 58505322
6-fluoro-N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 58505398
(2S,3S)-2-(1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 7096551
N-[1-cyclohexyl-2-(methylamino)ethyl]-5-(1H-indol-6-yl)furan-2-carboxamide
CID 90786943
N-[[3-[5-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]phenyl]methyl]pyrazine-2-carboxamide
CID 70226757
N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-5-(5H-cyclopenta[c]pyridin-3-yl)furan-2-carboxamide
CID 58492138
2-[3-(4-hydroxyphenyl)propanoylamino]-N,3-dimethylpentanamide
CID 91317315
N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 166251105
2-amino-5-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]benzamide
CID 166304512

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide?
The IUPAC name of N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide (CID 143976803) is N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide?
The canonical SMILES for N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide is CCC(C)[C@H](NC(=O)c1ccc(-c2cc3[nH]ccc3cn2)o1)C(=O)NC.
What is the InChIKey of N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide?
The InChIKey is GIBCGMFDSBGSES-KLLZUTDZSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-11(2)17(19(25)20-3)23-18(24)16-6-5-15(26-16)14-9-13-12(10-22-14)7-8-21-13/h5-11,17,21H,4H2,1-3H3,(H,20,25)(H,23,24)/t11?,17-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide?
N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-(1H-pyrrolo[3,2-c]pyridin-6-yl)furan-2-carboxamide is sourced from PubChem (CID 143976803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).