N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide

C21H19N7O — CID 145248604

IUPACN-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide
SMILES[H]/N=C(\c1cc2cnccc2[nH]1)c1cc(-c2cncc(NC(=O)CC)c2)cnc1N
InChIInChI=1S/C21H19N7O/c1-2-19(29)27-15-5-12(8-25-11-15)13-6-16(21(23)26-10-13)20(22)18-7-14-9-24-4-3-17(14)28-18/h3-11,22,28H,2H2,1H3,(H2,23,26)(H,27,29)/b22-20-
InChIKeySIOUEYICAUGQCH-XDOYNYLZSA-N
MW385.43 g/mol
LogP3.37
Rot. Bonds5

About N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide

N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide (PubChem CID 145248604) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide
PubChem CID145248604
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC NameN-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide
SMILES[H]/N=C(\c1cc2cnccc2[nH]1)c1cc(-c2cncc(NC(=O)CC)c2)cnc1N
InChIInChI=1S/C21H19N7O/c1-2-19(29)27-15-5-12(8-25-11-15)13-6-16(21(23)26-10-13)20(22)18-7-14-9-24-4-3-17(14)28-18/h3-11,22,28H,2H2,1H3,(H2,23,26)(H,27,29)/b22-20-
InChIKeySIOUEYICAUGQCH-XDOYNYLZSA-N
XLogP3.37
TPSA133.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[6-amino-5-(4-piperidin-1-yl-1H-benzimidazole-2-carboximidoyl)-3-pyridinyl]-5-ethylphenyl]propanamide
CID 137057959
2-[2-amino-5-[5-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-pyridinyl]pyridine-3-carboximidoyl]-1H-benzimidazole-4-carboxamide
CID 137307945
N-(1-cyclopropylethenyl)-5-[6-methyl-5-(4-pyridin-3-yl-1H-indole-2-carboximidoyl)-3-pyridinyl]pyridin-3-amine
CID 145245520
3,3-dimethyl-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]butanamide
CID 137110834
2-(dimethylamino)-N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 137312769
N-[5-[4-amino-3-(4-pyridin-4-yl-1H-benzimidazole-2-carboximidoyl)phenyl]-3-pyridinyl]cyclopropanecarboxamide
CID 137143194
N-[5-[3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 137019439
N-[5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137145130
N-[5-[5-amino-6-[7-(3-fluorophenyl)-3,9,11-triazatricyclo[6.3.0.02,4]undeca-1(8),4,6,9-tetraene-10-carboximidoyl]-2-pyridinyl]-3-pyridinyl]propanamide
CID 154654872
N-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136509566
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 137039278

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide (CID 145248604) is N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide is [H]/N=C(\c1cc2cnccc2[nH]1)c1cc(-c2cncc(NC(=O)CC)c2)cnc1N.
What is the InChIKey of N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide?
The InChIKey is SIOUEYICAUGQCH-XDOYNYLZSA-N. The full InChI is InChI=1S/C21H19N7O/c1-2-19(29)27-15-5-12(8-25-11-15)13-6-16(21(23)26-10-13)20(22)18-7-14-9-24-4-3-17(14)28-18/h3-11,22,28H,2H2,1H3,(H2,23,26)(H,27,29)/b22-20-.
What are the key properties of N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide?
N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide has a molecular weight of 385.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-amino-5-(1H-pyrrolo[3,2-c]pyridine-2-carboximidoyl)-3-pyridinyl]-3-pyridinyl]propanamide is sourced from PubChem (CID 145248604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).