(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide

C18H29N5O2 — CID 120801702

IUPAC(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)nc2)CC1
InChIInChI=1S/C18H29N5O2/c1-22(2)13-7-9-23(10-8-13)14-3-6-17(20-12-14)21-18(24)16-5-4-15(11-19)25-16/h3,6,12-13,15-16H,4-5,7-11,19H2,1-2H3,(H,20,21,24)/t15-,16+/m1/s1
InChIKeyVPUOJECFBDNMOV-CVEARBPZSA-N
MW347.46 g/mol
LogP1.06
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 120801702) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide
PubChem CID120801702
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide
SMILESCN(C)C1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)nc2)CC1
InChIInChI=1S/C18H29N5O2/c1-22(2)13-7-9-23(10-8-13)14-3-6-17(20-12-14)21-18(24)16-5-4-15(11-19)25-16/h3,6,12-13,15-16H,4-5,7-11,19H2,1-2H3,(H,20,21,24)/t15-,16+/m1/s1
InChIKeyVPUOJECFBDNMOV-CVEARBPZSA-N
XLogP1.06
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]acetamide;trihydrochloride
CID 119903679
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]morpholine-2-carboxamide
CID 119903688
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903697
1-amino-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]cyclopentane-1-carboxamide;trihydrochloride
CID 119903665
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 167884624
2-amino-N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]acetamide
CID 39180437
(2S,5R)-5-(aminomethyl)-N-[3-(4-methylpiperidin-1-yl)phenyl]oxolane-2-carboxamide;dihydrochloride
CID 120800987
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-(6-fluoroindol-1-yl)acetamide
CID 166239841
(2S,5R)-5-(aminomethyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 120801194
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]-5-morpholin-4-ylbenzoate
CID 120797586
N-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113024875
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113028796

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide (CID 120801702) is (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide is CN(C)C1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](CN)O3)nc2)CC1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is VPUOJECFBDNMOV-CVEARBPZSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22(2)13-7-9-23(10-8-13)14-3-6-17(20-12-14)21-18(24)16-5-4-15(11-19)25-16/h3,6,12-13,15-16H,4-5,7-11,19H2,1-2H3,(H,20,21,24)/t15-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 120801702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).