N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide

C29H29N5O3 — CID 145351783

IUPACN-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCNC(C)C5)cc4)c3)ccc12
InChIInChI=1S/C29H29N5O3/c1-19-18-34(15-14-31-19)22-8-6-20(7-9-22)28(35)33-27-17-24(12-13-32-27)37-23-10-11-25-21(16-23)4-3-5-26(25)29(36)30-2/h3-13,16-17,19,31H,14-15,18H2,1-2H3,(H,30,36)(H,32,33,35)
InChIKeyYNHJPZGAPCVLMT-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.44
Rot. Bonds6

About N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide

N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 145351783) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID145351783
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCNC(C)C5)cc4)c3)ccc12
InChIInChI=1S/C29H29N5O3/c1-19-18-34(15-14-31-19)22-8-6-20(7-9-22)28(35)33-27-17-24(12-13-32-27)37-23-10-11-25-21(16-23)4-3-5-26(25)29(36)30-2/h3-13,16-17,19,31H,14-15,18H2,1-2H3,(H,30,36)(H,32,33,35)
InChIKeyYNHJPZGAPCVLMT-UHFFFAOYSA-N
XLogP4.44
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 145351783) is N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCNC(C)C5)cc4)c3)ccc12.
What is the InChIKey of N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is YNHJPZGAPCVLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-19-18-34(15-14-31-19)22-8-6-20(7-9-22)28(35)33-27-17-24(12-13-32-27)37-23-10-11-25-21(16-23)4-3-5-26(25)29(36)30-2/h3-13,16-17,19,31H,14-15,18H2,1-2H3,(H,30,36)(H,32,33,35).
What are the key properties of N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[2-[[4-(3-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 145351783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).