3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide

C15H19N5O — CID 167174898

IUPAC3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide
SMILESCc1c(/N=C(\N)CC(=O)NCC2CC2)cnc2[nH]ccc12
InChIInChI=1S/C15H19N5O/c1-9-11-4-5-17-15(11)19-8-12(9)20-13(16)6-14(21)18-7-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)
InChIKeyLMRPZXLNQHJEHT-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.78
Rot. Bonds5

About 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide

3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide (PubChem CID 167174898) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide
PubChem CID167174898
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide
SMILESCc1c(/N=C(\N)CC(=O)NCC2CC2)cnc2[nH]ccc12
InChIInChI=1S/C15H19N5O/c1-9-11-4-5-17-15(11)19-8-12(9)20-13(16)6-14(21)18-7-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21)
InChIKeyLMRPZXLNQHJEHT-UHFFFAOYSA-N
XLogP1.78
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide (CID 167174898) is 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide is Cc1c(/N=C(\N)CC(=O)NCC2CC2)cnc2[nH]ccc12.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide?
The InChIKey is LMRPZXLNQHJEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9-11-4-5-17-15(11)19-8-12(9)20-13(16)6-14(21)18-7-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H2,16,20)(H,17,19)(H,18,21).
What are the key properties of 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide?
3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-3-[(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imino]propanamide is sourced from PubChem (CID 167174898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).