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

C29H29N5O3 — CID 145351804

IUPACN-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)c3)ccc12
InChIInChI=1S/C29H29N5O3/c1-30-29(36)26-5-3-4-21-18-23(10-11-25(21)26)37-24-12-13-31-27(19-24)32-28(35)20-6-8-22(9-7-20)34-16-14-33(2)15-17-34/h3-13,18-19H,14-17H2,1-2H3,(H,30,36)(H,31,32,35)
InChIKeyXIQQPHOWVZOQQP-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.39
Rot. Bonds6

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

N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 145351804) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID145351804
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)c3)ccc12
InChIInChI=1S/C29H29N5O3/c1-30-29(36)26-5-3-4-21-18-23(10-11-25(21)26)37-24-12-13-31-27(19-24)32-28(35)20-6-8-22(9-7-20)34-16-14-33(2)15-17-34/h3-13,18-19H,14-17H2,1-2H3,(H,30,36)(H,31,32,35)
InChIKeyXIQQPHOWVZOQQP-UHFFFAOYSA-N
XLogP4.39
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 145351804) is N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(N5CCN(C)CC5)cc4)c3)ccc12.
What is the InChIKey of N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is XIQQPHOWVZOQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-30-29(36)26-5-3-4-21-18-23(10-11-25(21)26)37-24-12-13-31-27(19-24)32-28(35)20-6-8-22(9-7-20)34-16-14-33(2)15-17-34/h3-13,18-19H,14-17H2,1-2H3,(H,30,36)(H,31,32,35).
What are the key properties of N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 145351804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).