N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide

C24H29N5O5 — CID 55582201

IUPACN-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)CCNC(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O5/c1-3-12-29-21(25)20(23(32)27-24(29)33)28(13-14-34-2)19(30)10-11-26-22(31)18-9-8-16-6-4-5-7-17(16)15-18/h4-9,15H,3,10-14,25H2,1-2H3,(H,26,31)(H,27,32,33)
InChIKeyXFCBVXYRHFMABM-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.48
Rot. Bonds10

About N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55582201) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55582201
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC NameN-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)CCNC(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O5/c1-3-12-29-21(25)20(23(32)27-24(29)33)28(13-14-34-2)19(30)10-11-26-22(31)18-9-8-16-6-4-5-7-17(16)15-18/h4-9,15H,3,10-14,25H2,1-2H3,(H,26,31)(H,27,32,33)
InChIKeyXFCBVXYRHFMABM-UHFFFAOYSA-N
XLogP1.48
TPSA139.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 55344943
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
CID 16614219
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-isoquinolin-2-ium-2-yl-N-(2-methoxyethyl)acetamide
CID 8829038
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-chloro-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4847773
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39724067
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4793017
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 43032737

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55582201) is N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide is CCCn1c(N)c(N(CCOC)C(=O)CCNC(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O.
What is the InChIKey of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is XFCBVXYRHFMABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-3-12-29-21(25)20(23(32)27-24(29)33)28(13-14-34-2)19(30)10-11-26-22(31)18-9-8-16-6-4-5-7-17(16)15-18/h4-9,15H,3,10-14,25H2,1-2H3,(H,26,31)(H,27,32,33).
What are the key properties of N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.48, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55582201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).