3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine

C19H23N5O — CID 123979332

IUPAC3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine
SMILESCc1ccnc(Nc2cc3c(c(NC[C@@H]4CCCO4)n2)CN=CC3)c1
InChIInChI=1S/C19H23N5O/c1-13-4-7-21-17(9-13)23-18-10-14-5-6-20-12-16(14)19(24-18)22-11-15-3-2-8-25-15/h4,6-7,9-10,15H,2-3,5,8,11-12H2,1H3,(H2,21,22,23,24)/t15-/m0/s1
InChIKeyALNRDQPLXYLYGR-HNNXBMFYSA-N
MW337.43 g/mol
LogP3.25
Rot. Bonds5

About 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine

3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine (PubChem CID 123979332) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine
PubChem CID123979332
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine
SMILESCc1ccnc(Nc2cc3c(c(NC[C@@H]4CCCO4)n2)CN=CC3)c1
InChIInChI=1S/C19H23N5O/c1-13-4-7-21-17(9-13)23-18-10-14-5-6-20-12-16(14)19(24-18)22-11-15-3-2-8-25-15/h4,6-7,9-10,15H,2-3,5,8,11-12H2,1H3,(H2,21,22,23,24)/t15-/m0/s1
InChIKeyALNRDQPLXYLYGR-HNNXBMFYSA-N
XLogP3.25
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-6-[(4-methyl-2-pyridinyl)amino]-8-[[(2R)-oxolan-2-yl]methylamino]-2,7-naphthyridin-1-one
CID 50925172
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757
4-methyl-2-[(4-methyl-2-pyridinyl)amino]-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200041
2-[methyl-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95304590
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-N-(2,5-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870079
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
CID 167795055
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine?
The IUPAC name of 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine (CID 123979332) is 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine.
What is the SMILES notation for 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine?
The canonical SMILES for 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine is Cc1ccnc(Nc2cc3c(c(NC[C@@H]4CCCO4)n2)CN=CC3)c1.
What is the InChIKey of 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine?
The InChIKey is ALNRDQPLXYLYGR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-4-7-21-17(9-13)23-18-10-14-5-6-20-12-16(14)19(24-18)22-11-15-3-2-8-25-15/h4,6-7,9-10,15H,2-3,5,8,11-12H2,1H3,(H2,21,22,23,24)/t15-/m0/s1.
What are the key properties of 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine?
3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine has a molecular weight of 337.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-methyl-2-pyridinyl)-1-N-[[(2S)-oxolan-2-yl]methyl]-5,8-dihydro-2,7-naphthyridine-1,3-diamine is sourced from PubChem (CID 123979332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).