N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide

C20H20N4O2 — CID 91967362

IUPACN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1cccc2ccccc12
InChIInChI=1S/C20H20N4O2/c25-19(18-7-3-5-15-4-1-2-6-17(15)18)22-14-16-8-9-21-20(23-16)24-10-12-26-13-11-24/h1-9H,10-14H2,(H,22,25)
InChIKeyLWCYPPRSGJVRSB-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.40
Rot. Bonds4

About N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide (PubChem CID 91967362) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
PubChem CID91967362
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1cccc2ccccc12
InChIInChI=1S/C20H20N4O2/c25-19(18-7-3-5-15-4-1-2-6-17(15)18)22-14-16-8-9-21-20(23-16)24-10-12-26-13-11-24/h1-9H,10-14H2,(H,22,25)
InChIKeyLWCYPPRSGJVRSB-UHFFFAOYSA-N
XLogP2.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide (CID 91967362) is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide is O=C(NCc1ccnc(N2CCOCC2)n1)c1cccc2ccccc12.
What is the InChIKey of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is LWCYPPRSGJVRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(18-7-3-5-15-4-1-2-6-17(15)18)22-14-16-8-9-21-20(23-16)24-10-12-26-13-11-24/h1-9H,10-14H2,(H,22,25).
What are the key properties of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide?
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 91967362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).