2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C22H26N4O4 — CID 92621093

IUPAC2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)[C@@H]2CCCO2)C3)c1
InChIInChI=1S/C22H26N4O4/c1-29-16-5-2-4-14(10-16)12-24-21(27)17-11-15-13-26(8-7-18(15)25-20(17)23)22(28)19-6-3-9-30-19/h2,4-5,10-11,19H,3,6-9,12-13H2,1H3,(H2,23,25)(H,24,27)/t19-/m0/s1
InChIKeyRHWXHDYUYDSXLH-IBGZPJMESA-N
MW410.47 g/mol
LogP1.67
Rot. Bonds5

About 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 92621093) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID92621093
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)[C@@H]2CCCO2)C3)c1
InChIInChI=1S/C22H26N4O4/c1-29-16-5-2-4-14(10-16)12-24-21(27)17-11-15-13-26(8-7-18(15)25-20(17)23)22(28)19-6-3-9-30-19/h2,4-5,10-11,19H,3,6-9,12-13H2,1H3,(H2,23,25)(H,24,27)/t19-/m0/s1
InChIKeyRHWXHDYUYDSXLH-IBGZPJMESA-N
XLogP1.67
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-(oxolane-2-carbonyl)-N-(pyridin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 110248384
2-amino-6-[(2-methoxy-3-methylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620984
[4-[[6-[(3-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110250954
2-[3-[[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]methyl]phenoxy]acetamide
CID 111984309
1,5-dimethyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazole-4-carboxamide
CID 94817888
N-ethyl-N'-[2-(3-methoxyphenyl)ethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301809
[(3aS,8aS)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-(oxolan-2-yl)methanone
CID 133136866
N-[(4-methoxyphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide
CID 3309593
6-acetyl-N-[(3-methoxyphenyl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide
CID 97442469
2-amino-6-(2-methoxyacetyl)-N-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 92620838
N-[(3-methoxyphenyl)methyl]-7-methyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carboxamide
CID 20919271
2-N-[(3-methoxyphenyl)methyl]-6-N-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2,6-dicarboxamide
CID 97442474

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 92621093) is 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is COc1cccc(CNC(=O)c2cc3c(nc2N)CCN(C(=O)[C@@H]2CCCO2)C3)c1.
What is the InChIKey of 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is RHWXHDYUYDSXLH-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N4O4/c1-29-16-5-2-4-14(10-16)12-24-21(27)17-11-15-13-26(8-7-18(15)25-20(17)23)22(28)19-6-3-9-30-19/h2,4-5,10-11,19H,3,6-9,12-13H2,1H3,(H2,23,25)(H,24,27)/t19-/m0/s1.
What are the key properties of 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methoxyphenyl)methyl]-6-[(2S)-oxolane-2-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 92621093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).