(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C16H18N4O — CID 61165563

IUPAC(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1nccc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C16H18N4O/c1-11-17-7-6-14(20-11)10-19-16(21)15-8-12-4-2-3-5-13(12)9-18-15/h2-7,15,18H,8-10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyNWTPDBDPWZGSGA-OAHLLOKOSA-N
MW282.35 g/mol
LogP1.12
Rot. Bonds3

About (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 61165563) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID61165563
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCc1nccc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1
InChIInChI=1S/C16H18N4O/c1-11-17-7-6-14(20-11)10-19-16(21)15-8-12-4-2-3-5-13(12)9-18-15/h2-7,15,18H,8-10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyNWTPDBDPWZGSGA-OAHLLOKOSA-N
XLogP1.12
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163280
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119891860
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61016722
(3R)-N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28529670
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103814858
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119299728
N-[(2-methylpyrimidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908468
(3S)-N-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 44663666
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119270632
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61283928
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103629909
N-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24705541

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 61165563) is (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cc1nccc(CNC(=O)[C@H]2Cc3ccccc3CN2)n1.
What is the InChIKey of (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is NWTPDBDPWZGSGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-17-7-6-14(20-11)10-19-16(21)15-8-12-4-2-3-5-13(12)9-18-15/h2-7,15,18H,8-10H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 282.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 61165563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).