N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide

C8H8N4O — CID 174976610

IUPACN-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide
SMILESO=CNNc1c[nH]c2ncccc12
InChIInChI=1S/C8H8N4O/c13-5-11-12-7-4-10-8-6(7)2-1-3-9-8/h1-5,12H,(H,9,10)(H,11,13)
InChIKeyPCMJHBVHWPVNOR-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.64
Rot. Bonds3

About N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide

N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide (PubChem CID 174976610) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide.

Molecular Properties

Compound NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide
PubChem CID174976610
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameN-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide
SMILESO=CNNc1c[nH]c2ncccc12
InChIInChI=1S/C8H8N4O/c13-5-11-12-7-4-10-8-6(7)2-1-3-9-8/h1-5,12H,(H,9,10)(H,11,13)
InChIKeyPCMJHBVHWPVNOR-UHFFFAOYSA-N
XLogP0.64
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 141065993
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
1H-pyrrolo[2,3-b]pyridin-3-yl formate
CID 57163255
N-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 58087153
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
ethyl N-(1H-pyrrolo[2,3-b]pyridin-3-yl)carbamate
CID 141399754
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 53392945
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide?
The IUPAC name of N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide (CID 174976610) is N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide.
What is the SMILES notation for N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide?
The canonical SMILES for N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide is O=CNNc1c[nH]c2ncccc12.
What is the InChIKey of N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide?
The InChIKey is PCMJHBVHWPVNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-5-11-12-7-4-10-8-6(7)2-1-3-9-8/h1-5,12H,(H,9,10)(H,11,13).
What are the key properties of N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide?
N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide has a molecular weight of 176.18 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrolo[2,3-b]pyridin-3-ylamino)formamide is sourced from PubChem (CID 174976610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).