N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine

C19H26N4 — CID 91543463

IUPACN-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCN1CCCN(CNCc2ccccn2)CC1c1ccccc1
InChIInChI=1S/C19H26N4/c1-22-12-7-13-23(15-19(22)17-8-3-2-4-9-17)16-20-14-18-10-5-6-11-21-18/h2-6,8-11,19-20H,7,12-16H2,1H3
InChIKeyWQPBDLRCLIREPN-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.51
Rot. Bonds5

About N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine

N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 91543463) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID91543463
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC NameN-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine
SMILESCN1CCCN(CNCc2ccccn2)CC1c1ccccc1
InChIInChI=1S/C19H26N4/c1-22-12-7-13-23(15-19(22)17-8-3-2-4-9-17)16-20-14-18-10-5-6-11-21-18/h2-6,8-11,19-20H,7,12-16H2,1H3
InChIKeyWQPBDLRCLIREPN-UHFFFAOYSA-N
XLogP2.51
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methoxyphenyl)-1-methyl-4-(pyridin-2-ylmethyl)piperazine
CID 124976190
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
2-(4-methylazepan-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63626313
N-methyl-3-[(2S)-1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]benzamide
CID 125001060
2-(4-ethylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 55024068
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 62561399
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
2-(4-propan-2-ylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 103503493
1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine (CID 91543463) is N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine is CN1CCCN(CNCc2ccccn2)CC1c1ccccc1.
What is the InChIKey of N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is WQPBDLRCLIREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-22-12-7-13-23(15-19(22)17-8-3-2-4-9-17)16-20-14-18-10-5-6-11-21-18/h2-6,8-11,19-20H,7,12-16H2,1H3.
What are the key properties of N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine?
N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 310.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-phenyl-1,4-diazepan-1-yl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 91543463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).