2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine

C14H20N4 — CID 66407638

IUPAC2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2cc[nH]c2)cn1
InChIInChI=1S/C14H20N4/c1-3-18(4-2)14-6-5-13(11-17-14)16-10-12-7-8-15-9-12/h5-9,11,15-16H,3-4,10H2,1-2H3
InChIKeyMMPVGAWNWBMUOP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.87
Rot. Bonds6

About 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine

2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine (PubChem CID 66407638) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine
PubChem CID66407638
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine
SMILESCCN(CC)c1ccc(NCc2cc[nH]c2)cn1
InChIInChI=1S/C14H20N4/c1-3-18(4-2)14-6-5-13(11-17-14)16-10-12-7-8-15-9-12/h5-9,11,15-16H,3-4,10H2,1-2H3
InChIKeyMMPVGAWNWBMUOP-UHFFFAOYSA-N
XLogP2.87
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N-diethyl-5-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43697183
4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]benzonitrile
CID 43697331
2-[4-[[[6-(diethylamino)-3-pyridinyl]amino]methyl]pyrazol-1-yl]ethanol
CID 64828612
2-N,2-N-diethyl-5-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 103823681
5-N-[(4-bromo-3-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 81432293
5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 114487359
5-N-(cyclopropylmethyl)-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697513
6-[[6-(diethylamino)-3-pyridinyl]methylamino]-1-methylpyrimidine-2,4-dione
CID 154772539
3-ethoxy-4-methoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407427
2-N,2-N-diethyl-5-N-(2-methylpentyl)pyridine-2,5-diamine
CID 43697114
2-N,2-N-diethyl-5-N-[(5-nitrofuran-2-yl)methyl]pyridine-2,5-diamine
CID 43783660
5-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 10158438

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine?
The IUPAC name of 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine (CID 66407638) is 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine is CCN(CC)c1ccc(NCc2cc[nH]c2)cn1.
What is the InChIKey of 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine?
The InChIKey is MMPVGAWNWBMUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-18(4-2)14-6-5-13(11-17-14)16-10-12-7-8-15-9-12/h5-9,11,15-16H,3-4,10H2,1-2H3.
What are the key properties of 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine?
2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-(1H-pyrrol-3-ylmethyl)pyridine-2,5-diamine is sourced from PubChem (CID 66407638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).