6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

C16H19N5O2 — CID 122317533

IUPAC6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-4-12(10-18-15)16(22)19-11-13-17-7-6-14(20-13)21-8-2-3-9-21/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,22)
InChIKeyYROSSBZWWIUUQF-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.41
Rot. Bonds5

About 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide

6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 122317533) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
PubChem CID122317533
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)cn1
InChIInChI=1S/C16H19N5O2/c1-23-15-5-4-12(10-18-15)16(22)19-11-13-17-7-6-14(20-13)21-8-2-3-9-21/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,22)
InChIKeyYROSSBZWWIUUQF-UHFFFAOYSA-N
XLogP1.41
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318877
6-cyclopentyloxy-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122318605
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
5-bromo-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317411
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
(6-methoxy-3-pyridinyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344220

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide (CID 122317533) is 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)cn1.
What is the InChIKey of 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is YROSSBZWWIUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-23-15-5-4-12(10-18-15)16(22)19-11-13-17-7-6-14(20-13)21-8-2-3-9-21/h4-7,10H,2-3,8-9,11H2,1H3,(H,19,22).
What are the key properties of 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide?
6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 122317533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).