N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

About N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 175823252) has the molecular formula C35H44N6O2 and a molecular weight of 580.78 g/mol. Its IUPAC name is N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID	175823252
Molecular Formula	C35H44N6O2
Molecular Weight	580.78 g/mol
Exact Mass	580.35
IUPAC Name	N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILES	C=CC(=O)N1CCN(c2cc(C(=O)N[C@H]3CCC[C@@H](N(C)C)C3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1
InChI	InChI=1S/C35H44N6O2/c1-5-33(42)40-19-17-39(18-20-40)32-22-29(35(43)36-26-12-8-13-27(21-26)38(3)4)37-30-23-41(16-15-28(30)32)31-14-7-11-25-10-6-9-24(2)34(25)31/h5-7,9-11,14,22,26-27H,1,8,12-13,15-21,23H2,2-4H3,(H,36,43)/t26-,27+/m0/s1
InChIKey	NKFBDDCGADGNPI-RRPNLBNLSA-N
XLogP	4.54
TPSA	72.02 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	43
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.78
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The IUPAC name of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 175823252) is N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

What is the SMILES notation for N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The canonical SMILES for N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is C=CC(=O)N1CCN(c2cc(C(=O)N[C@H]3CCC[C@@H](N(C)C)C3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1.

What is the InChIKey of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

The InChIKey is NKFBDDCGADGNPI-RRPNLBNLSA-N. The full InChI is InChI=1S/C35H44N6O2/c1-5-33(42)40-19-17-39(18-20-40)32-22-29(35(43)36-26-12-8-13-27(21-26)38(3)4)37-30-23-41(16-15-28(30)32)31-14-7-11-25-10-6-9-24(2)34(25)31/h5-7,9-11,14,22,26-27H,1,8,12-13,15-21,23H2,2-4H3,(H,36,43)/t26-,27+/m0/s1.

What are the key properties of N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?

N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 580.78 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,3R)-3-(dimethylamino)cyclohexyl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 175823252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).