N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide

C27H30N4O3 — CID 55725492

IUPACN-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C27H30N4O3/c1-30-14-16-31(17-15-30)27(34)22-8-6-20(7-9-22)19-29-25(32)12-13-28-26(33)24-11-10-21-4-2-3-5-23(21)18-24/h2-11,18H,12-17,19H2,1H3,(H,28,33)(H,29,32)
InChIKeyWLLVPTYWBPPVCS-UHFFFAOYSA-N
MW458.56 g/mol
LogP2.66
Rot. Bonds7

About N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55725492) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55725492
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC NameN-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCN1CCN(C(=O)c2ccc(CNC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)CC1
InChIInChI=1S/C27H30N4O3/c1-30-14-16-31(17-15-30)27(34)22-8-6-20(7-9-22)19-29-25(32)12-13-28-26(33)24-11-10-21-4-2-3-5-23(21)18-24/h2-11,18H,12-17,19H2,1H3,(H,28,33)(H,29,32)
InChIKeyWLLVPTYWBPPVCS-UHFFFAOYSA-N
XLogP2.66
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46481818
N-[3-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 56555081
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
2-(2,4-dimethylquinolin-3-yl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55708866
N-[3-(2-aminoethylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 119384874
[6-[2-(methylamino)ethyl]naphthalen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 146407864
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
CID 31007703
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 55780170
3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55725492) is N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide is CN1CCN(C(=O)c2ccc(CNC(=O)CCNC(=O)c3ccc4ccccc4c3)cc2)CC1.
What is the InChIKey of N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is WLLVPTYWBPPVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-30-14-16-31(17-15-30)27(34)22-8-6-20(7-9-22)19-29-25(32)12-13-28-26(33)24-11-10-21-4-2-3-5-23(21)18-24/h2-11,18H,12-17,19H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylamino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55725492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).