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

C27H22N4O4 — CID 145351737

IUPACN-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2cc(Oc3ccc4c(C(=O)NC)cccc4c3)ccn2)cc1
InChIInChI=1S/C27H22N4O4/c1-3-25(32)30-19-9-7-17(8-10-19)26(33)31-24-16-21(13-14-29-24)35-20-11-12-22-18(15-20)5-4-6-23(22)27(34)28-2/h3-16H,1H2,2H3,(H,28,34)(H,30,32)(H,29,31,33)
InChIKeyUPFCQMLUUMENSZ-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.76
Rot. Bonds7

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

N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (PubChem CID 145351737) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
PubChem CID145351737
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC NameN-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
SMILESC=CC(=O)Nc1ccc(C(=O)Nc2cc(Oc3ccc4c(C(=O)NC)cccc4c3)ccn2)cc1
InChIInChI=1S/C27H22N4O4/c1-3-25(32)30-19-9-7-17(8-10-19)26(33)31-24-16-21(13-14-29-24)35-20-11-12-22-18(15-20)5-4-6-23(22)27(34)28-2/h3-16H,1H2,2H3,(H,28,34)(H,30,32)(H,29,31,33)
InChIKeyUPFCQMLUUMENSZ-UHFFFAOYSA-N
XLogP4.76
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylpiperazin-1-yl)-N-[4-[5-(methylcarbamoyl)naphthalen-2-yl]oxy-2-pyridinyl]pyrimidine-5-carboxamide
CID 155200241
N-methyl-6-[[2-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 149020965
N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(3-methylpiperazin-1-yl)benzamide;N-methylmethanamine
CID 145351775
N-[4-(5-formylnaphthalen-2-yl)oxy-2-pyridinyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide;N-methylmethanamine
CID 145351744
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
N-(4-chlorophenyl)-6-pyrimidin-4-yloxynaphthalene-1-carboxamide
CID 24824044
4-[4-[[5-(dimethylamino)-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 141353963
N-methyl-4-[2-[[3-(prop-2-enoylamino)benzoyl]amino]phenoxy]pyridine-2-carboxamide
CID 166412297
6-[[2-(methylamino)-4-pyridinyl]oxy]naphthalene-1-carbaldehyde
CID 145351787
N-methyl-4-[4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenoxy]pyridine-2-carboxamide
CID 130248768
N-methyl-4-[4-[[5-[methyl(methylidene)-λ4-sulfanyl]-4-[3-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]phenoxy]pyridine-2-carboxamide
CID 144587275
tert-butyl 4-[4-[[4-[5-[hydroxy(methylamino)methyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamoyl]phenyl]piperidine-1-carboxylate
CID 155200202

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The IUPAC name of N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide (CID 145351737) is N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide.
What is the SMILES notation for N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The canonical SMILES for N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is C=CC(=O)Nc1ccc(C(=O)Nc2cc(Oc3ccc4c(C(=O)NC)cccc4c3)ccn2)cc1.
What is the InChIKey of N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
The InChIKey is UPFCQMLUUMENSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-3-25(32)30-19-9-7-17(8-10-19)26(33)31-24-16-21(13-14-29-24)35-20-11-12-22-18(15-20)5-4-6-23(22)27(34)28-2/h3-16H,1H2,2H3,(H,28,34)(H,30,32)(H,29,31,33).
What are the key properties of N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide?
N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[2-[[4-(prop-2-enoylamino)benzoyl]amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide is sourced from PubChem (CID 145351737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).