3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine

C10H11N3 — CID 130527583

IUPAC3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine
SMILESNc1ccncc1Cc1ccc[nH]1
InChIInChI=1S/C10H11N3/c11-10-3-5-12-7-8(10)6-9-2-1-4-13-9/h1-5,7,13H,6H2,(H2,11,12)
InChIKeyLVHFZUWWHAEPEV-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.58
Rot. Bonds2

About 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine

3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine (PubChem CID 130527583) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine
PubChem CID130527583
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine
SMILESNc1ccncc1Cc1ccc[nH]1
InChIInChI=1S/C10H11N3/c11-10-3-5-12-7-8(10)6-9-2-1-4-13-9/h1-5,7,13H,6H2,(H2,11,12)
InChIKeyLVHFZUWWHAEPEV-UHFFFAOYSA-N
XLogP1.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(bromomethyl)pyridin-4-amine
CID 18674607
3-[(4-bromo-1-methylpyrazol-5-yl)methyl]pyridin-4-amine
CID 114663317
2-[(2-fluorophenyl)methyl]-1H-pyrrole;pyridine
CID 175324574
4-[(4-amino-3-pyridinyl)methyl]naphthalene-1-carbonitrile
CID 139483438
3-[(2-methyltriazol-4-yl)methyl]pyridin-4-amine
CID 130592205
3-[(2,3-difluoro-4-methylphenyl)methyl]pyridin-4-amine
CID 107514276
3-[(3-methoxypyrazin-2-yl)methyl]pyridin-4-amine
CID 104516357
3-(phenylsulfanylmethyl)pyridin-4-amine
CID 105470275
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978
3-(3-chloro-3-phenylpropyl)pyridin-4-amine
CID 64507336
3-[(3-cyclopropyloxyphenyl)methyl]pyridin-4-amine
CID 114522818
methane;1H-pyrrol-2-ylmethanamine
CID 162272370

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine (CID 130527583) is 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine is Nc1ccncc1Cc1ccc[nH]1.
What is the InChIKey of 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine?
The InChIKey is LVHFZUWWHAEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c11-10-3-5-12-7-8(10)6-9-2-1-4-13-9/h1-5,7,13H,6H2,(H2,11,12).
What are the key properties of 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine?
3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine has a molecular weight of 173.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 130527583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).