N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide

C29H38N6O — CID 135372029

IUPACN-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide
SMILESCN1CCC(NC(=O)CCc2ccc(-c3cc(NC4CCN(C)CC4)c4cnccc4n3)cc2)CC1
InChIInChI=1S/C29H38N6O/c1-34-15-10-23(11-16-34)31-28-19-27(33-26-9-14-30-20-25(26)28)22-6-3-21(4-7-22)5-8-29(36)32-24-12-17-35(2)18-13-24/h3-4,6-7,9,14,19-20,23-24H,5,8,10-13,15-18H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyBBQFGPOSJZIJKL-UHFFFAOYSA-N
MW486.66 g/mol
LogP3.95
Rot. Bonds7

About N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide

N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide (PubChem CID 135372029) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide
PubChem CID135372029
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC NameN-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide
SMILESCN1CCC(NC(=O)CCc2ccc(-c3cc(NC4CCN(C)CC4)c4cnccc4n3)cc2)CC1
InChIInChI=1S/C29H38N6O/c1-34-15-10-23(11-16-34)31-28-19-27(33-26-9-14-30-20-25(26)28)22-6-3-21(4-7-22)5-8-29(36)32-24-12-17-35(2)18-13-24/h3-4,6-7,9,14,19-20,23-24H,5,8,10-13,15-18H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyBBQFGPOSJZIJKL-UHFFFAOYSA-N
XLogP3.95
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide (CID 135372029) is N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide is CN1CCC(NC(=O)CCc2ccc(-c3cc(NC4CCN(C)CC4)c4cnccc4n3)cc2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide?
The InChIKey is BBQFGPOSJZIJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O/c1-34-15-10-23(11-16-34)31-28-19-27(33-26-9-14-30-20-25(26)28)22-6-3-21(4-7-22)5-8-29(36)32-24-12-17-35(2)18-13-24/h3-4,6-7,9,14,19-20,23-24H,5,8,10-13,15-18H2,1-2H3,(H,31,33)(H,32,36).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide?
N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide has a molecular weight of 486.66 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-3-[4-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]phenyl]propanamide is sourced from PubChem (CID 135372029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).