N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

C14H12N4O3 — CID 139010156

IUPACN-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1coc(CNC(=O)c2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C14H12N4O3/c15-12(19)9-5-10(21-7-9)6-17-14(20)11-2-1-8-3-4-16-13(8)18-11/h1-5,7H,6H2,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyFWDYYVXXMOGSTB-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.18
Rot. Bonds4

About N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide

N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 139010156) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID139010156
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC NameN-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
SMILESNC(=O)c1coc(CNC(=O)c2ccc3cc[nH]c3n2)c1
InChIInChI=1S/C14H12N4O3/c15-12(19)9-5-10(21-7-9)6-17-14(20)11-2-1-8-3-4-16-13(8)18-11/h1-5,7H,6H2,(H2,15,19)(H,16,18)(H,17,20)
InChIKeyFWDYYVXXMOGSTB-UHFFFAOYSA-N
XLogP1.18
TPSA114.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-2-(oxan-4-yl)propyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 136566826
N-[(4-carbamoylfuran-2-yl)methyl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 138035110
2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one
CID 71743078
5-(aminomethyl)furan-3-carboxamide
CID 54593471
N-[[4-[(1H-pyrrolo[2,3-b]pyridine-6-carbonylamino)methyl]phenyl]methyl]thieno[2,3-c]pyridine-7-carboxamide
CID 167797997
cyclopropyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 69009468
3-N-[(4-methyl-1,3-oxazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 140556514
5-[[(3-chloro-4-methylphenyl)methylamino]methyl]furan-3-carboxamide
CID 119049704
N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
CID 138042469
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
6-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464446

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide (CID 139010156) is N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is NC(=O)c1coc(CNC(=O)c2ccc3cc[nH]c3n2)c1.
What is the InChIKey of N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is FWDYYVXXMOGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-12(19)9-5-10(21-7-9)6-17-14(20)11-2-1-8-3-4-16-13(8)18-11/h1-5,7H,6H2,(H2,15,19)(H,16,18)(H,17,20).
What are the key properties of N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide?
N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 139010156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).