6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide

C19H22N6O2 — CID 131918794

IUPAC6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3ncnc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C19H22N6O2/c1-27-16-3-2-14(11-21-16)19(26)22-10-13-5-8-25(9-6-13)18-15-4-7-20-17(15)23-12-24-18/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,22,26)(H,20,23,24)
InChIKeyMGUVGUNQGNWFGK-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.01
Rot. Bonds5

About 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide

6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 131918794) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID131918794
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCC2CCN(c3ncnc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C19H22N6O2/c1-27-16-3-2-14(11-21-16)19(26)22-10-13-5-8-25(9-6-13)18-15-4-7-20-17(15)23-12-24-18/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,22,26)(H,20,23,24)
InChIKeyMGUVGUNQGNWFGK-UHFFFAOYSA-N
XLogP2.01
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

4-(2-fluoroethoxy)-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]benzamide
CID 166311448
6-methoxy-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 125169256
N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57382810
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
3-(3-but-3-ynyldiazirin-3-yl)-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propanamide
CID 166417145
6-(6-methoxy-3-pyridinyl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 56869814
2-iodo-1-[6-[methyl-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]amino]-3-pyridinyl]ethanone
CID 122591752
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 146014294
N-cyclopropyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 141448653
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 67249697
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 131918794) is 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCC2CCN(c3ncnc4[nH]ccc34)CC2)cn1.
What is the InChIKey of 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is MGUVGUNQGNWFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-27-16-3-2-14(11-21-16)19(26)22-10-13-5-8-25(9-6-13)18-15-4-7-20-17(15)23-12-24-18/h2-4,7,11-13H,5-6,8-10H2,1H3,(H,22,26)(H,20,23,24).
What are the key properties of 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 131918794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).