N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide

C21H29N7O2 — CID 123439106

IUPACN-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCC1(CNc2cncc(-c3ccnc(NC(=O)C4CCCNC4)n3)n2)CCOCC1
InChIInChI=1S/C21H29N7O2/c1-21(5-9-30-10-6-21)14-25-18-13-23-12-17(26-18)16-4-8-24-20(27-16)28-19(29)15-3-2-7-22-11-15/h4,8,12-13,15,22H,2-3,5-7,9-11,14H2,1H3,(H,25,26)(H,24,27,28,29)
InChIKeyDKAUQWQITCBOSS-UHFFFAOYSA-N
MW411.51 g/mol
LogP2.10
Rot. Bonds6

About N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide

N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide (PubChem CID 123439106) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide
PubChem CID123439106
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC NameN-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide
SMILESCC1(CNc2cncc(-c3ccnc(NC(=O)C4CCCNC4)n3)n2)CCOCC1
InChIInChI=1S/C21H29N7O2/c1-21(5-9-30-10-6-21)14-25-18-13-23-12-17(26-18)16-4-8-24-20(27-16)28-19(29)15-3-2-7-22-11-15/h4,8,12-13,15,22H,2-3,5-7,9-11,14H2,1H3,(H,25,26)(H,24,27,28,29)
InChIKeyDKAUQWQITCBOSS-UHFFFAOYSA-N
XLogP2.10
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45273827
2-[1-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]piperidin-4-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 58073659
(4R,4aR,8aR)-N-(2-methyl-3-pyridinyl)-6-pyrimidin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97388720
1-(4-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53201088
4-Methyl-2-(3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)pyrimidine
CID 53009993
1-(4-morpholino-5-pyrimidinyl)-N-(3-pyridylmethyl)-4-piperidinecarboxamide
CID 53165762
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 53165763
2-[1-(2-Methoxypyrimidin-4-YL)piperidin-4-YL]-N-[2-(pyridin-2-YL)ethyl]acetamide
CID 53189229
1-[4-(dimethylamino)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53201087
1-(4-morpholin-4-ylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53201089
1-(4-Morpholino-5-pyrimidinyl)-N-[1-(2-pyridyl)ethyl]-4-piperidinecarboxamide
CID 53201090
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-3-YL}-N-[(pyridin-2-YL)methyl]propanamide
CID 53202005

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide (CID 123439106) is N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide is CC1(CNc2cncc(-c3ccnc(NC(=O)C4CCCNC4)n3)n2)CCOCC1.
What is the InChIKey of N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
The InChIKey is DKAUQWQITCBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-21(5-9-30-10-6-21)14-25-18-13-23-12-17(26-18)16-4-8-24-20(27-16)28-19(29)15-3-2-7-22-11-15/h4,8,12-13,15,22H,2-3,5-7,9-11,14H2,1H3,(H,25,26)(H,24,27,28,29).
What are the key properties of N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide?
N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[(4-methyloxan-4-yl)methylamino]pyrazin-2-yl]pyrimidin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 123439106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).