6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

C16H26N4O2 — CID 164636605

IUPAC6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)ncn1
InChIInChI=1S/C16H26N4O2/c1-12(2)9-20-6-4-5-13(10-20)8-17-16(21)14-7-15(22-3)19-11-18-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyNFAGCORWUGIVFI-CYBMUJFWSA-N
MW306.41 g/mol
LogP1.58
Rot. Bonds6

About 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide

6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 164636605) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID164636605
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)ncn1
InChIInChI=1S/C16H26N4O2/c1-12(2)9-20-6-4-5-13(10-20)8-17-16(21)14-7-15(22-3)19-11-18-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,21)/t13-/m1/s1
InChIKeyNFAGCORWUGIVFI-CYBMUJFWSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 3228706
1-(4-Methoxy-6-methyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid sec-butylamide
CID 3228704
2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
2-(Tert-butylamino)-1-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 56778671
6-methoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91628546
6-methoxy-N-(2-(3-methyl-6-oxopyridazin-1(6H)-yl)ethyl)pyrimidine-4-carboxamide
CID 91628569
6-methoxy-N-(2-methylcyclohexyl)pyrimidine-4-carboxamide
CID 91628503
(2,6-Dimethoxypyrimidin-4-yl)-morpholin-4-ylmethanone
CID 3286661
2,6-dimethoxy-N-[3-(2-methylimidazol-1-yl)propyl]pyrimidine-4-carboxamide
CID 46968258
3-[(2,6-Dimethoxypyrimidin-4-yl)carbonyl]-3,9-diazaspiro[5.6]dodecan-10-one
CID 56722831
6-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
CID 91816289
2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
CID 95229551

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 164636605) is 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is COc1cc(C(=O)NC[C@H]2CCCN(CC(C)C)C2)ncn1.
What is the InChIKey of 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is NFAGCORWUGIVFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-12(2)9-20-6-4-5-13(10-20)8-17-16(21)14-7-15(22-3)19-11-18-14/h7,11-13H,4-6,8-10H2,1-3H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide?
6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 164636605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).