6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine

C16H19N5 — CID 66410557

IUPAC6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
SMILESCCCn1cccc1CNc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H19N5/c1-2-8-20-9-3-4-15(20)12-18-14-5-6-16(19-11-14)21-10-7-17-13-21/h3-7,9-11,13,18H,2,8,12H2,1H3
InChIKeyXERNDFRPGKQNBH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds6

About 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine

6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine (PubChem CID 66410557) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
PubChem CID66410557
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
SMILESCCCn1cccc1CNc1ccc(-n2ccnc2)nc1
InChIInChI=1S/C16H19N5/c1-2-8-20-9-3-4-15(20)12-18-14-5-6-16(19-11-14)21-10-7-17-13-21/h3-7,9-11,13,18H,2,8,12H2,1H3
InChIKeyXERNDFRPGKQNBH-UHFFFAOYSA-N
XLogP3.09
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]pyridin-3-amine
CID 62957017
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
2-N,2-N-dimethyl-5-N-[(1-propylpyrrol-2-yl)methyl]pyridine-2,5-diamine
CID 66410551
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
6-imidazol-1-yl-N-[(4-methylsulfanylphenyl)methyl]pyridin-3-amine
CID 43710494
6-imidazol-1-yl-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 62762109
6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 114050216
6-imidazol-1-yl-N-[(1-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 62756492
6-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43710749
1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
CID 66411903
N-[(1-ethylpyrazol-4-yl)methyl]-6-imidazol-1-ylpyridin-3-amine
CID 103934270

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine (CID 66410557) is 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine is CCCn1cccc1CNc1ccc(-n2ccnc2)nc1.
What is the InChIKey of 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The InChIKey is XERNDFRPGKQNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-8-20-9-3-4-15(20)12-18-14-5-6-16(19-11-14)21-10-7-17-13-21/h3-7,9-11,13,18H,2,8,12H2,1H3.
What are the key properties of 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine has a molecular weight of 281.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 66410557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).