N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide

C17H15N5O2 — CID 167927540

IUPACN-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide
SMILESNCc1ncc(NC(=O)c2ccnc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C17H15N5O2/c18-9-15-20-10-13(11-21-15)22-17(23)12-6-7-19-16(8-12)24-14-4-2-1-3-5-14/h1-8,10-11H,9,18H2,(H,22,23)
InChIKeyTVCUYJNTJKQMAT-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide

N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide (PubChem CID 167927540) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide
PubChem CID167927540
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide
SMILESNCc1ncc(NC(=O)c2ccnc(Oc3ccccc3)c2)cn1
InChIInChI=1S/C17H15N5O2/c18-9-15-20-10-13(11-21-15)22-17(23)12-6-7-19-16(8-12)24-14-4-2-1-3-5-14/h1-8,10-11H,9,18H2,(H,22,23)
InChIKeyTVCUYJNTJKQMAT-UHFFFAOYSA-N
XLogP2.37
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
2-phenoxypyridine-4-carboxylic acid
CID 21494431
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
CID 60564666
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
CID 86967497
4-(dimethylamino)-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302379
2-[4-(methylamino)phenoxy]pyridine-4-carboxamide
CID 61028473
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide (CID 167927540) is N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide is NCc1ncc(NC(=O)c2ccnc(Oc3ccccc3)c2)cn1.
What is the InChIKey of N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide?
The InChIKey is TVCUYJNTJKQMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c18-9-15-20-10-13(11-21-15)22-17(23)12-6-7-19-16(8-12)24-14-4-2-1-3-5-14/h1-8,10-11H,9,18H2,(H,22,23).
What are the key properties of N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide?
N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)pyrimidin-5-yl]-2-phenoxypyridine-4-carboxamide is sourced from PubChem (CID 167927540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).