2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide

C20H18N4O — CID 97199538

IUPAC2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C20H18N4O/c25-20(24-18-7-3-5-14-4-1-2-6-17(14)18)16-12-22-19(23-13-16)15-8-10-21-11-9-15/h1-2,4,6,8-13,18H,3,5,7H2,(H,24,25)/t18-/m0/s1
InChIKeyJWICFEGRJUPISC-SFHVURJKSA-N
MW330.39 g/mol
LogP3.35
Rot. Bonds3

About 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide

2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide (PubChem CID 97199538) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
PubChem CID97199538
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCCc2ccccc21)c1cnc(-c2ccncc2)nc1
InChIInChI=1S/C20H18N4O/c25-20(24-18-7-3-5-14-4-1-2-6-17(14)18)16-12-22-19(23-13-16)15-8-10-21-11-9-15/h1-2,4,6,8-13,18H,3,5,7H2,(H,24,25)/t18-/m0/s1
InChIKeyJWICFEGRJUPISC-SFHVURJKSA-N
XLogP3.35
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072949
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 42887665
2-chloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 32694198
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
3-methyl-5-pyridin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-oxazole-4-carboxamide
CID 75160720
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97198109
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72843548
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]naphthalene-2-carboxamide
CID 7688440
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086250

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide (CID 97199538) is 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide is O=C(N[C@H]1CCCc2ccccc21)c1cnc(-c2ccncc2)nc1.
What is the InChIKey of 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide?
The InChIKey is JWICFEGRJUPISC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18N4O/c25-20(24-18-7-3-5-14-4-1-2-6-17(14)18)16-12-22-19(23-13-16)15-8-10-21-11-9-15/h1-2,4,6,8-13,18H,3,5,7H2,(H,24,25)/t18-/m0/s1.
What are the key properties of 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide?
2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 97199538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).