4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine

C12H16N4 — CID 66409159

IUPAC4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1cc[nH]c1
InChIInChI=1S/C12H16N4/c1-16(2)12-4-6-14-9-11(12)15-8-10-3-5-13-7-10/h3-7,9,13,15H,8H2,1-2H3
InChIKeyDHBDBHNLZVKVSW-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.09
Rot. Bonds4

About 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine

4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine (PubChem CID 66409159) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine
PubChem CID66409159
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine
SMILESCN(C)c1ccncc1NCc1cc[nH]c1
InChIInChI=1S/C12H16N4/c1-16(2)12-4-6-14-9-11(12)15-8-10-3-5-13-7-10/h3-7,9,13,15H,8H2,1-2H3
InChIKeyDHBDBHNLZVKVSW-UHFFFAOYSA-N
XLogP2.09
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
3-N-[(3-chloro-4-methylphenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 106816290
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide
CID 63277027
4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine
CID 43678536
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 61318267
4-N,4-N-dimethyl-3-N-[(5-nitrothiophen-3-yl)methyl]pyridine-3,4-diamine
CID 60812575
5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43678428
3-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 107123923
5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methoxybenzonitrile
CID 65335926
2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol
CID 79162436
3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 62355893
3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 66159679

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine (CID 66409159) is 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine is CN(C)c1ccncc1NCc1cc[nH]c1.
What is the InChIKey of 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine?
The InChIKey is DHBDBHNLZVKVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16(2)12-4-6-14-9-11(12)15-8-10-3-5-13-7-10/h3-7,9,13,15H,8H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine?
4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine has a molecular weight of 216.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 66409159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).