N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine

C14H13N3 — CID 58087275

IUPACN-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCN(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H13N3/c1-17(11-6-3-2-4-7-11)13-10-16-14-12(13)8-5-9-15-14/h2-10H,1H3,(H,15,16)
InChIKeySTDVNAXGTHAYFG-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.33
Rot. Bonds2

About N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine

N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 58087275) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
PubChem CID58087275
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC NameN-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine
SMILESCN(c1ccccc1)c1c[nH]c2ncccc12
InChIInChI=1S/C14H13N3/c1-17(11-6-3-2-4-7-11)13-10-16-14-12(13)8-5-9-15-14/h2-10H,1H3,(H,15,16)
InChIKeySTDVNAXGTHAYFG-UHFFFAOYSA-N
XLogP3.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-3-amine
CID 57292724
ethane;1H-pyrrolo[2,3-b]pyridin-3-amine
CID 142426313
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
N-methyl-N-phenyl-1H-imidazo[4,5-b]pyridin-7-amine
CID 67278158
1H-pyrrolo[2,3-b]pyridin-3-yl formate
CID 57163255
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
4-N-(1H-indol-3-yl)-4-N-methylbenzene-1,4-diamine
CID 117041220
ethane;3-[9-[methyl(1H-pyrrolo[2,3-b]pyridin-3-yl)amino]-3-oxo-2,11-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]piperidine-2,6-dione
CID 155710620
N,N-dimethyl-1-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)cyclohexan-1-amine
CID 57475082
N-[(2-bromophenyl)-phenylmethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 139014986

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The IUPAC name of N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 58087275) is N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine.
What is the SMILES notation for N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The canonical SMILES for N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine is CN(c1ccccc1)c1c[nH]c2ncccc12.
What is the InChIKey of N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
The InChIKey is STDVNAXGTHAYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-17(11-6-3-2-4-7-11)13-10-16-14-12(13)8-5-9-15-14/h2-10H,1H3,(H,15,16).
What are the key properties of N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine?
N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 223.28 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 58087275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).