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

C30H30N4O4 — CID 145351766

IUPACN-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)ccc12
InChIInChI=1S/C30H30N4O4/c1-31-30(36)27-6-4-5-22-19-24(11-12-26(22)27)38-25-13-14-32-28(20-25)33-29(35)21-7-9-23(10-8-21)37-18-17-34-15-2-3-16-34/h4-14,19-20H,2-3,15-18H2,1H3,(H,31,36)(H,32,33,35)
InChIKeyLYQJSYNLBMQEFL-UHFFFAOYSA-N
MW510.59 g/mol
LogP5.11
Rot. Bonds9

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

N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 145351766) has the molecular formula C30H30N4O4 and a molecular weight of 510.59 g/mol. Its IUPAC name is N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID145351766
Molecular FormulaC30H30N4O4
Molecular Weight510.59 g/mol
Exact Mass510.23
IUPAC NameN-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)ccc12
InChIInChI=1S/C30H30N4O4/c1-31-30(36)27-6-4-5-22-19-24(11-12-26(22)27)38-25-13-14-32-28(20-25)33-29(35)21-7-9-23(10-8-21)37-18-17-34-15-2-3-16-34/h4-14,19-20H,2-3,15-18H2,1H3,(H,31,36)(H,32,33,35)
InChIKeyLYQJSYNLBMQEFL-UHFFFAOYSA-N
XLogP5.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide with MolForge

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Related Compounds

Risimtinib
CID 145351764
Benzamide,3-(1-amino-1-methylethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-
CID 50992247
N-methyl-6-[[2-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351804
(3S)-4-[4-[3-[(4-methoxy-2-pyridinyl)amino]propoxy]phenyl]-3-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 71550913
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
N-(4-chlorophenyl)-6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 24822265
3-[(1S)-1-amino-2-hydroxyethyl]-N-[(2R)-7-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 46847263
(S)-N-(4-aminobutyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46866402
(S)-N-(2-methoxyethyl)-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886116
(S)-N-(4-aminobutyl)-N-(2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl)-2,3-dihydrobenzofuran-5-carboxamide
CID 46886248

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 145351766) is N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is CNC(=O)c1cccc2cc(Oc3ccnc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)ccc12.
What is the InChIKey of N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is LYQJSYNLBMQEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4/c1-31-30(36)27-6-4-5-22-19-24(11-12-26(22)27)38-25-13-14-32-28(20-25)33-29(35)21-7-9-23(10-8-21)37-18-17-34-15-2-3-16-34/h4-14,19-20H,2-3,15-18H2,1H3,(H,31,36)(H,32,33,35).
What are the key properties of N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-methyl-6-[[2-[[4-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 5.11, 9 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-(2-pyrrolidin-1-ylethoxy)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 145351766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).